[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C19H26ClN3O7S MolecularWeight: 475.94364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H26ClN3O7S/c1-3-4-13(2)21-18(24)12-30-19(25)14-7-9-22(10-8-14)31(28,29)17-11-15(23(26)27)5-6-16(17)20/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,21,24)