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

Systemtic Name: 9-methoxy-7-pyridin-3-yl-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(3-pyridyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-pyridin-3-yl-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(3-pyridyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H19F3N2O4S MolecularWeight: 464.45747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2O4S/c1-30-20-12-16(15-3-2-8-26-13-15)11-17-14-27(9-10-31-21(17)20)32(28,29)19-6-4-18(5-7-19)22(23,24)25/h2-8,11-13H,9-10,14H2,1H3