S-[1-(4-methoxyphenyl)-7-phenyl-heptan-4-yl] 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-[1-(4-methoxyphenyl)-7-phenyl-heptan-4-yl] 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-[1-[3-(4-methoxyphenyl)propyl]-4-phenyl-butyl] 1-(p-tolylsulfonyl)piperidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-[1-(4-methoxyphenyl)-7-phenylheptan-4-yl] ester IUPAC Name: S-[1-(4-methoxyphenyl)-7-phenylheptan-4-yl] 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-tosylpiperidine-2-carbothioic acid S-[1-[3-(4-methoxyphenyl)propyl]-4-phenyl-butyl] ester Formula: C33H41NO4S2 MolecularWeight: 579.81294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C33H41NO4S2/c1-26-17-23-31(24-18-26)40(36,37)34-25-7-6-16-32(34)33(35)39-30(14-8-12-27-10-4-3-5-11-27)15-9-13-28-19-21-29(38-2)22-20-28/h3-5,10-11,17-24,30,32H,6-9,12-16,25H2,1-2H3