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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H26N2O6S/c1-16(26)18-8-10-21(11-9-18)32(29,30)25-14-12-19(13-15-25)23(28)31-17(2)22(27)24-20-6-4-3-5-7-20/h3-11,17,19H,12-15H2,1-2H3,(H,24,27)/t17-/m0/s1