N-(3,4-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dimethylphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H22N2O4S3/c1-15-4-5-18(14-16(15)2)23-30(26,27)20-10-6-17(7-11-20)22-29(24,25)21-12-8-19(28-3)9-13-21/h4-14,22-23H,1-3H3