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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-9-methoxy-7-(6-methoxy-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H20ClFN2O5S MolecularWeight: 478.921003

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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(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O5S/c1-29-20-11-14(19-4-3-5-21(25-19)30-2)10-15-13-26(8-9-31-22(15)20)32(27,28)16-6-7-18(24)17(23)12-16/h3-7,10-12H,8-9,13H2,1-2H3