1-[3,5-dimethyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[3,5-dimethyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[3,5-dimethyl-1-[2-(p-tolylsulfanyl)ethyl]pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[3,5-dimethyl-1-[2-[(4-methylphenyl)thio]ethyl]-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[3,5-dimethyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[3,5-dimethyl-1-[2-(p-tolylthio)ethyl]pyrazol-4-yl]sulfonylpiperidine Formula: C19H27N3O2S2 MolecularWeight: 393.56658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C19H27N3O2S2/c1-15-7-9-18(10-8-15)25-14-13-22-17(3)19(16(2)20-22)26(23,24)21-11-5-4-6-12-21/h7-10H,4-6,11-14H2,1-3H3