4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 4-(4-besylpiperazino)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21F3N4O2S/c1-16-15-20(27-21(26-16)17-7-9-18(10-8-17)22(23,24)25)28-11-13-29(14-12-28)32(30,31)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3