4-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-fluoro-3-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C20H26FN5O2S MolecularWeight: 419.516143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

InChI

InChI=1S/C20H26FN5O2S/c1-16-13-17(5-6-18(16)21)29(27,28)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-2-4-8-24/h5-6,13-15H,2-4,7-12H2,1H3