(4-phenylphenyl) 1-butylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-phenylphenyl) 1-butylsulfonylpiperidine-4-carboxylate Openeye Name: (4-phenylphenyl) 1-butylsulfonylpiperidine-4-carboxylate CAS Name: 1-butylsulfonyl-4-piperidinecarboxylic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 1-butylsulfonylpiperidine-4-carboxylate Traditional Name: 1-butylsulfonylisonipecotic acid (4-phenylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-2-3-17-28(25,26)23-15-13-20(14-16-23)22(24)27-21-11-9-19(10-12-21)18-7-5-4-6-8-18/h4-12,20H,2-3,13-17H2,1H3