[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1-(8-quinolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(8-quinolinylsulfonyl)-4-piperidinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(8-quinolylsulfonyl)isonipecotic acid [2-keto-2-(3-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(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

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

InChI

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