N-(2,4-dimethoxyphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H22N2O6S3/c1-28-16-6-13-20(21(14-16)29-2)23-32(26,27)18-9-4-15(5-10-18)22-31(24,25)19-11-7-17(30-3)8-12-19/h4-14,22-23H,1-3H3