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

Systemtic Name: 3-[[4-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[oxo-[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-[4-(trifluoromethyl)nicotinoyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C19H17F3N4O3S MolecularWeight: 438.42349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O3S/c20-19(21,22)17-5-6-24-13-16(17)18(27)25-7-2-8-26(10-9-25)30(28,29)15-4-1-3-14(11-15)12-23/h1,3-6,11,13H,2,7-10H2