1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C20H19F3N4O2S2 MolecularWeight: 468.51567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H19F3N4O2S2/c21-20(22,23)15-5-7-18(25-14-15)26-10-3-11-27(13-12-26)31(28,29)19-8-6-17(30-19)16-4-1-2-9-24-16/h1-2,4-9,14H,3,10-13H2