3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O3S/c20-17-5-7-18(8-6-17)27(25,26)23-10-2-9-22(11-12-23)19(24)16-4-1-3-15(13-16)14-21/h1,3-8,13H,2,9-12H2