S-[3-(4-methoxyphenyl)propyl] 1-(phenylsulfonyl)piperidine-2-carbothioate

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] 1-(phenylsulfonyl)piperidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)propyl] 1-(benzenesulfonyl)piperidine-2-carbothioate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarbothioic acid S-[3-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)propyl] 1-(benzenesulfonyl)piperidine-2-carbothioate Traditional Name: 1-besylpiperidine-2-carbothioic acid S-[3-(4-methoxyphenyl)propyl] ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCSC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCSC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S2/c1-27-19-14-12-18(13-15-19)8-7-17-28-22(24)21-11-5-6-16-23(21)29(25,26)20-9-3-2-4-10-20/h2-4,9-10,12-15,21H,5-8,11,16-17H2,1H3