S-(4-phenylbutyl) 1-cyclohexylsulfonylpiperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-cyclohexylsulfonylpiperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-cyclohexylsulfonylpiperidine-2-carbothioate CAS Name: 1-cyclohexylsulfonyl-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-cyclohexylsulfonylpiperidine-2-carbothioate Traditional Name: 1-cyclohexylsulfonylpiperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C22H33NO3S2 MolecularWeight: 423.63232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H33NO3S2/c24-22(27-18-10-8-13-19-11-3-1-4-12-19)21-16-7-9-17-23(21)28(25,26)20-14-5-2-6-15-20/h1,3-4,11-12,20-21H,2,5-10,13-18H2