[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H28N2O6S/c1-15(24)18-6-5-7-19(14-18)30(27,28)23-12-8-17(9-13-23)21(26)29-16(2)20(25)22-10-3-4-11-22/h5-7,14,16-17H,3-4,8-13H2,1-2H3/t16-/m1/s1