4-methyl-N-[4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(E)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[(E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[(E)-3-[3-nitro-4-(p-tolylthio)phenyl]acryloyl]phenyl]benzenesulfonamide Formula: C29H24N2O5S2 MolecularWeight: 544.64126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H24N2O5S2/c1-20-3-13-25(14-4-20)37-29-18-8-22(19-27(29)31(33)34)7-17-28(32)23-9-11-24(12-10-23)30-38(35,36)26-15-5-21(2)6-16-26/h3-19,30H,1-2H3/b17-7+