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20J : Summary
Code
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20J
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One-letter code
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X
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Molecule name
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7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
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Systematic names
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Formula
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C8 H7 Cl N2 O2 S
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Formal charge
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0
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Molecular weight
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230.671 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Clc1ccc2N=C(NS(=O)(=O)c2c1)C |
SMILES
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CACTVS |
3.385 |
CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl |
Canonical SMILES
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CACTVS |
3.385 |
CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl |
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IUPAC InChI | InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11) |
IUPAC InChI key | GDLBFKVLRPITMI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-08-13
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Last modified at
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2013-09-20
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Status
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Released
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Obsoleted
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Not Assigned
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