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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C22H21ClN4O8S MolecularWeight: 536.94214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O8S/c23-16-6-5-15(27(31)32)11-19(16)36(33,34)25-9-7-14(8-10-25)22(30)35-13-21(29)26-12-20(28)24-17-3-1-2-4-18(17)26/h1-6,11,14H,7-10,12-13H2,(H,24,28)