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

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H30N2O6S/c1-15(25)17-7-9-20(10-8-17)31(28,29)24-13-11-18(12-14-24)22(27)30-16(2)21(26)23-19-5-3-4-6-19/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,23,26)/t16-/m1/s1