[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-3-10-20-17(22)13(2)26-18(23)14-8-11-21(12-9-14)27(24,25)16-6-4-15(19)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,22)/t13-/m0/s1