(E)-3-(2-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]prop-2-enamide Openeye Name: (E)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(o-tolyl)prop-2-enamide CAS Name: (E)-3-(2-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-propenamide IUPAC Name: (E)-3-(2-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]prop-2-enamide Traditional Name: (E)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(o-tolyl)acrylamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-5-3-4-6-15(14)7-10-19(23)21-12-11-20-17-9-8-16(28(2,26)27)13-18(17)22(24)25/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)/b10-7+