4-[2-(4-methylphenyl)ethyl]-1-(2-methylsulfonylphenyl)sulfonyl-piperidine

Systemtic Name: 4-[2-(4-methylphenyl)ethyl]-1-(2-methylsulfonylphenyl)sulfonyl-piperidine Openeye Name: 1-(2-methylsulfonylphenyl)sulfonyl-4-[2-(p-tolyl)ethyl]piperidine CAS Name: 4-[2-(4-methylphenyl)ethyl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine IUPAC Name: 4-[2-(4-methylphenyl)ethyl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine Traditional Name: 1-(2-mesylphenyl)sulfonyl-4-[2-(p-tolyl)ethyl]piperidine Formula: C21H27NO4S2 MolecularWeight: 421.57338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H27NO4S2/c1-17-7-9-18(10-8-17)11-12-19-13-15-22(16-14-19)28(25,26)21-6-4-3-5-20(21)27(2,23)24/h3-10,19H,11-16H2,1-2H3