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

Systemtic Name: (E)-N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-2-oxo-ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-keto-2-[2-(4-mesyl-2-nitro-anilino)ethylamino]ethyl]-3-phenyl-acrylamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-31(29,30)16-8-9-17(18(13-16)24(27)28)21-11-12-22-20(26)14-23-19(25)10-7-15-5-3-2-4-6-15/h2-10,13,21H,11-12,14H2,1H3,(H,22,26)(H,23,25)/b10-7+