[2-(phenylmethyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(phenylmethyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-benzylphenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-benzylphenyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S/c1-26(23,24)21-13-11-17(12-14-21)20(22)25-19-10-6-5-9-18(19)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3