S-(4-phenylbutyl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(p-tolylsulfonyl)piperidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-tosylpiperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO3S2/c1-19-13-15-21(16-14-19)29(26,27)24-17-7-5-12-22(24)23(25)28-18-8-6-11-20-9-3-2-4-10-20/h2-4,9-10,13-16,22H,5-8,11-12,17-18H2,1H3