[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-15(2)21-19(23)16(3)27-20(24)18-9-12-22(13-10-18)28(25,26)14-11-17-7-5-4-6-8-17/h4-8,11,14-16,18H,9-10,12-13H2,1-3H3,(H,21,23)/b14-11+/t16-/m0/s1