4-(3-fluorophenyl)sulfonyl-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3-fluorophenyl)sulfonyl-9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3-fluorophenyl)sulfonyl-9-methoxy-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(3-fluorophenyl)sulfonyl-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3-fluorophenyl)sulfonyl-9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O4S/c1-27-20-11-16(15-4-3-7-23-13-15)10-17-14-24(8-9-28-21(17)20)29(25,26)19-6-2-5-18(22)12-19/h2-7,10-13H,8-9,14H2,1H3