S-(1,7-diphenylheptan-4-yl) 1-(2-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(1,7-diphenylheptan-4-yl) 1-(2-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-[4-phenyl-1-(3-phenylpropyl)butyl] 1-(o-tolylsulfonyl)piperidine-2-carbothioate CAS Name: 1-(2-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-(1,7-diphenylheptan-4-yl) ester IUPAC Name: S-(1,7-diphenylheptan-4-yl) 1-(2-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-(o-tolylsulfonyl)piperidine-2-carbothioic acid S-[4-phenyl-1-(3-phenylpropyl)butyl] ester Formula: C32H39NO3S2 MolecularWeight: 549.78696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C32H39NO3S2/c1-26-14-8-9-24-31(26)38(35,36)33-25-11-10-23-30(33)32(34)37-29(21-12-19-27-15-4-2-5-16-27)22-13-20-28-17-6-3-7-18-28/h2-9,14-18,24,29-30H,10-13,19-23,25H2,1H3