2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-(3-fluorophenyl)-4-methyl-6-(4-tosylpiperazino)pyrimidine Formula: C22H23FN4O2S MolecularWeight: 426.507023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4O2S/c1-16-6-8-20(9-7-16)30(28,29)27-12-10-26(11-13-27)21-14-17(2)24-22(25-21)18-4-3-5-19(23)15-18/h3-9,14-15H,10-13H2,1-2H3