A1AK8

3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide

Created:	2024-04-05
Last modified:	2025-04-09

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of A1AK8

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Chemical Component Summary
Name	3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-hydrosulfonyl-~{N}-phenyl-benzenesulfonamide
Formula	C₁₂ H₁₁ N O₄ S₂
Molecular Weight	297.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc1ccccc1)c1cccc(c1)S(=O)=O
SMILES	CACTVS	3.385	O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NS(=O)(=O)c2cccc(c2)S(=O)=O
Canonical SMILES	CACTVS	3.385	O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NS(=O)(=O)c2cccc(c2)S(=O)=O
InChI	InChI	1.06	InChI=1S/C12H11NO4S2/c14-18(15)11-7-4-8-12(9-11)19(16,17)13-10-5-2-1-3-6-10/h1-9,13,18H
InChIKey	InChI	1.06	ZVZXMHZBQNOFLG-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.