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

Systemtic Name: (E)-3-(3-methoxyphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]prop-2-enamide Openeye Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]prop-2-enamide CAS Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]prop-2-enamide Traditional Name: (E)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(3-methoxyphenyl)acrylamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-28-15-5-3-4-14(12-15)6-9-19(23)21-11-10-20-17-8-7-16(29(2,26)27)13-18(17)22(24)25/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,23)/b9-6+