3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O2S/c19-18(20,21)15-5-6-17(23-13-15)24-7-2-8-25(10-9-24)28(26,27)16-4-1-3-14(11-16)12-22/h1,3-6,11,13H,2,7-10H2