9-methoxy-4-thiophen-2-ylsulfonyl-7-[5-(trifluoromethyl)pyridin-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-thiophen-2-ylsulfonyl-7-[5-(trifluoromethyl)pyridin-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-(2-thienylsulfonyl)-7-[5-(trifluoromethyl)-2-pyridyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-thiophen-2-ylsulfonyl-7-[5-(trifluoromethyl)-2-pyridinyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-thiophen-2-ylsulfonyl-7-[5-(trifluoromethyl)pyridin-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-(2-thienylsulfonyl)-7-[5-(trifluoromethyl)-2-pyridyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H17F3N2O4S2 MolecularWeight: 470.48519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CS3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CS3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O4S2/c1-28-17-10-13(16-5-4-15(11-24-16)20(21,22)23)9-14-12-25(6-7-29-19(14)17)31(26,27)18-3-2-8-30-18/h2-5,8-11H,6-7,12H2,1H3