2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidinyl]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[4-[4-(4-mesylphenyl)butyl]piperidino]-4-(trifluoromethyl)pyrimidine Formula: C21H26F3N3O2S MolecularWeight: 441.51025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCCCC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCCCC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O2S/c1-30(28,29)18-8-6-16(7-9-18)4-2-3-5-17-11-14-27(15-12-17)20-25-13-10-19(26-20)21(22,23)24/h6-10,13,17H,2-5,11-12,14-15H2,1H3