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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-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 [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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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)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C19H25N3O7S/c1-12-3-6-16(22(25)26)11-17(12)30(27,28)21-9-7-14(8-10-21)19(24)29-13(2)18(23)20-15-4-5-15/h3,6,11,13-15H,4-5,7-10H2,1-2H3,(H,20,23)/t13-/m1/s1