[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H23N3O5S/c1-13(18(23)21-16-4-5-16)27-19(24)15-8-10-22(11-9-15)28(25,26)17-6-2-14(12-20)3-7-17/h2-3,6-7,13,15-16H,4-5,8-11H2,1H3,(H,21,23)/t13-/m0/s1