N-(2-methoxy-5-methyl-phenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S3/c1-15-4-13-21(28-2)20(14-15)23-31(26,27)18-9-5-16(6-10-18)22-30(24,25)19-11-7-17(29-3)8-12-19/h4-14,22-23H,1-3H3