[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C23H24ClN3O7S MolecularWeight: 521.97056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H24ClN3O7S/c24-19-8-7-18(27(30)31)14-21(19)35(32,33)25-12-9-17(10-13-25)23(29)34-15-22(28)26-11-3-5-16-4-1-2-6-20(16)26/h1-2,4,6-8,14,17H,3,5,9-13,15H2