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

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O3S/c20-17-6-8-18(9-7-17)27(25,26)23-11-1-10-22(12-13-23)19(24)16-4-2-15(14-21)3-5-16/h2-9H,1,10-13H2