1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Formula: C22H30FN5O2S MolecularWeight: 447.569303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H30FN5O2S/c1-17-16-18(2)25-22(24-17)27-12-8-20(9-13-27)26-10-3-11-28(15-14-26)31(29,30)21-6-4-19(23)5-7-21/h4-7,16,20H,3,8-15H2,1-2H3