3-[[4-[4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile Formula: C25H31FN4O2S MolecularWeight: 470.602643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H31FN4O2S/c1-20-6-7-23(26)17-25(20)33(31,32)30-11-3-10-29(14-15-30)24-8-12-28(13-9-24)19-22-5-2-4-21(16-22)18-27/h2,4-7,16-17,24H,3,8-15,19H2,1H3