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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

InChI

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