S-(4-phenylbutyl) 1-(3,4,5-trimethylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(3,4,5-trimethylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(3,4,5-trimethylphenyl)sulfonylpiperidine-2-carbothioate CAS Name: 1-(3,4,5-trimethylphenyl)sulfonyl-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(3,4,5-trimethylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-(3,4,5-trimethylphenyl)sulfonylpiperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C)C)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO3S2/c1-19-17-23(18-20(2)21(19)3)31(28,29)26-15-9-7-14-24(26)25(27)30-16-10-8-13-22-11-5-4-6-12-22/h4-6,11-12,17-18,24H,7-10,13-16H2,1-3H3