9-methoxy-7-(6-methoxypyridin-2-yl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H21F3N2O5S MolecularWeight: 494.48345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H21F3N2O5S/c1-31-19-13-15(18-7-5-9-21(27-18)32-2)12-16-14-28(10-11-33-22(16)19)34(29,30)20-8-4-3-6-17(20)23(24,25)26/h3-9,12-13H,10-11,14H2,1-2H3