N-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-(o-tolyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: 4-[[4-(methylthio)phenyl]sulfonylamino]-N-(o-tolyl)benzenesulfonamide Formula: C20H20N2O4S3 MolecularWeight: 448.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H20N2O4S3/c1-15-5-3-4-6-20(15)22-29(25,26)18-11-7-16(8-12-18)21-28(23,24)19-13-9-17(27-2)10-14-19/h3-14,21-22H,1-2H3