N-[4-methyl-3-(phenylsulfonylamino)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-methyl-3-(phenylsulfonylamino)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(benzenesulfonamido)-4-methyl-phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-(benzenesulfonamido)-4-methylphenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-(benzenesulfonamido)-4-methyl-phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5S2/c1-15-7-8-16(13-20(15)23-31(28,29)19-5-3-2-4-6-19)22-21(25)14-30-18-11-9-17(10-12-18)24(26)27/h2-13,23H,14H2,1H3,(H,22,25)