[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-ethylphenyl)sulfonylisonipecotic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7S/c1-2-16-6-8-20(9-7-16)32(29,30)23-12-10-17(11-13-23)22(26)31-15-21(25)18-4-3-5-19(14-18)24(27)28/h3-9,14,17H,2,10-13,15H2,1H3