[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3CCCC3

InChI

InChI=1S/C21H29N3O7S/c1-14-7-8-18(24(27)28)13-19(14)32(29,30)23-11-9-16(10-12-23)21(26)31-15(2)20(25)22-17-5-3-4-6-17/h7-8,13,15-17H,3-6,9-12H2,1-2H3,(H,22,25)