4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzenesulfonamide Formula: C21H21NO3S2 MolecularWeight: 399.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO3S2/c1-16-14-17(15-26-19-6-4-3-5-7-19)8-13-21(16)22-27(23,24)20-11-9-18(25-2)10-12-20/h3-14,22H,15H2,1-2H3