2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H24FN3O2S/c26-23-10-12-24(13-11-23)32(30,31)29-15-3-14-28(16-17-29)19-20-6-8-21(9-7-20)25-5-2-1-4-22(25)18-27/h1-2,4-13H,3,14-17,19H2