S-(1-phenyl-7-pyridin-2-yl-heptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(1-phenyl-7-pyridin-2-yl-heptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-[1-(3-phenylpropyl)-4-(2-pyridyl)butyl] 1-(p-tolylsulfonyl)piperidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-[1-phenyl-7-(2-pyridinyl)heptan-4-yl] ester IUPAC Name: S-(1-phenyl-7-pyridin-2-ylheptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-tosylpiperidine-2-carbothioic acid S-[1-(3-phenylpropyl)-4-(2-pyridyl)butyl] ester Formula: C31H38N2O3S2 MolecularWeight: 550.77502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=N4

InChI

InChI=1S/C31H38N2O3S2/c1-25-19-21-29(22-20-25)38(35,36)33-24-8-6-18-30(33)31(34)37-28(16-9-13-26-11-3-2-4-12-26)17-10-15-27-14-5-7-23-32-27/h2-5,7,11-12,14,19-23,28,30H,6,8-10,13,15-18,24H2,1H3