4-phenylbutyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid 4-phenylbutyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c24-22(27-18-10-8-13-19-11-3-1-4-12-19)21-16-7-9-17-23(21)28(25,26)20-14-5-2-6-15-20/h1-6,11-12,14-15,21H,7-10,13,16-18H2