S-(1,7-diphenylheptan-4-yl) 1-(phenylsulfonyl)piperidine-2-carbothioate

Systemtic Name: S-(1,7-diphenylheptan-4-yl) 1-(phenylsulfonyl)piperidine-2-carbothioate Openeye Name: S-[4-phenyl-1-(3-phenylpropyl)butyl] 1-(benzenesulfonyl)piperidine-2-carbothioate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarbothioic acid S-(1,7-diphenylheptan-4-yl) ester IUPAC Name: S-(1,7-diphenylheptan-4-yl) 1-(benzenesulfonyl)piperidine-2-carbothioate Traditional Name: 1-besylpiperidine-2-carbothioic acid S-[4-phenyl-1-(3-phenylpropyl)butyl] ester Formula: C31H37NO3S2 MolecularWeight: 535.76038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)SC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)SC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37NO3S2/c33-31(30-24-10-11-25-32(30)37(34,35)29-22-8-3-9-23-29)36-28(20-12-18-26-14-4-1-5-15-26)21-13-19-27-16-6-2-7-17-27/h1-9,14-17,22-23,28,30H,10-13,18-21,24-25H2