2-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-piperidyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[4-[4-(4-fluorophenyl)sulfonylpiperazino]piperidino]-4,6-dimethyl-pyrimidine Formula: C21H28FN5O2S MolecularWeight: 433.542723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H28FN5O2S/c1-16-15-17(2)24-21(23-16)26-9-7-19(8-10-26)25-11-13-27(14-12-25)30(28,29)20-5-3-18(22)4-6-20/h3-6,15,19H,7-14H2,1-2H3