4-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-methyl-6-phenoxy-pyrimidine

Systemtic Name: 4-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-methyl-6-phenoxy-pyrimidine Openeye Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxy-pyrimidine CAS Name: 4-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-2-methyl-6-phenoxypyrimidine IUPAC Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine Traditional Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazino]-2-methyl-6-phenoxy-pyrimidine Formula: C21H20F2N4O3S MolecularWeight: 446.470306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N4O3S/c1-15-24-20(14-21(25-15)30-17-5-3-2-4-6-17)26-9-11-27(12-10-26)31(28,29)19-8-7-16(22)13-18(19)23/h2-8,13-14H,9-12H2,1H3