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

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]sulfonyl-9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3,4-difluorophenyl)sulfonyl-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3,4-difluorophenyl)sulfonyl-9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(3,4-difluorophenyl)sulfonyl-9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3,4-difluorophenyl)sulfonyl-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H20F2N2O4S MolecularWeight: 482.499106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H20F2N2O4S/c1-32-24-12-17(18-10-16-4-2-3-5-23(16)28-14-18)11-19-15-29(8-9-33-25(19)24)34(30,31)20-6-7-21(26)22(27)13-20/h2-7,10-14H,8-9,15H2,1H3