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

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[(E)-styryl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[(E)-styryl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C19H20F3N3O2S MolecularWeight: 411.44121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2S/c20-19(21,22)17-7-8-18(23-15-17)24-10-4-11-25(13-12-24)28(26,27)14-9-16-5-2-1-3-6-16/h1-3,5-9,14-15H,4,10-13H2/b14-9+