(4-propan-2-ylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-isopropylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-isopropylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-17(2)19-10-8-18(9-11-19)16-27-22(24)20-12-14-23(15-13-20)28(25,26)21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3