1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C23H32FN5O2S MolecularWeight: 461.595883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)C4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)C4=NC(=CC(=N4)C)C

InChI

InChI=1S/C23H32FN5O2S/c1-17-5-6-20(24)16-22(17)32(30,31)29-10-4-9-27(13-14-29)21-7-11-28(12-8-21)23-25-18(2)15-19(3)26-23/h5-6,15-16,21H,4,7-14H2,1-3H3