S-(4-phenylbutyl) 1-(phenylsulfonyl)piperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(phenylsulfonyl)piperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(benzenesulfonyl)piperidine-2-carbothioate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(benzenesulfonyl)piperidine-2-carbothioate Traditional Name: 1-besylpiperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)SCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)SCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S2/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