[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H24N2O8S MolecularWeight: 488.51026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H24N2O8S/c1-32-21-10-8-17(14-22(21)34(30,31)24-12-3-2-4-13-24)9-11-23(27)33-16-20(26)18-6-5-7-19(15-18)25(28)29/h5-11,14-15H,2-4,12-13,16H2,1H3/b11-9+