[(1S)-1-phenylethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-1-phenylethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-phenylethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-1-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [(1S)-1-phenylethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-16(18-5-3-2-4-6-18)27-21(24)19-11-13-23(14-12-19)28(25,26)20-9-7-17(15-22)8-10-20/h2-10,16,19H,11-14H2,1H3/t16-/m0/s1