N-(2,4-dimethylphenyl)-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanyl-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanyl-benzenesulfonamide Openeye Name: 4-[(E)-cinnamyl]sulfanyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[[(E)-3-phenylprop-2-enyl]thio]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzenesulfonamide Traditional Name: 4-[[(E)-cinnamyl]thio]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SCC=CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S2/c1-17-10-12-21(18(2)15-17)24-31(28,29)20-11-13-23(22(16-20)25(26)27)30-14-6-9-19-7-4-3-5-8-19/h3-13,15-16,24H,14H2,1-2H3/b9-6+