1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-coumaran-5-ylsulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C18H19F3N4O3S MolecularWeight: 428.42867

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC3)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC3)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O3S/c19-18(20,21)16-4-6-22-17(23-16)24-7-1-8-25(10-9-24)29(26,27)14-2-3-15-13(12-14)5-11-28-15/h2-4,6,12H,1,5,7-11H2