[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-11(20)13-3-5-15(6-4-13)26(23,24)19-9-7-14(8-10-19)17(22)25-12(2)16(18)21/h3-6,12,14H,7-10H2,1-2H3,(H2,18,21)/t12-/m0/s1