[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 1-(8-quinolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(8-quinolinylsulfonyl)-4-piperidinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(8-quinolylsulfonyl)isonipecotic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H21N3O7S/c27-20(16-6-8-19(9-7-16)26(29)30)15-33-23(28)18-10-13-25(14-11-18)34(31,32)21-5-1-3-17-4-2-12-24-22(17)21/h1-9,12,18H,10-11,13-15H2