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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)sulfonyl-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(5-chloro-2-thienyl)sulfonyl]-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonyl]-9-methoxy-7-(6-methoxy-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(5-chlorothiophen-2-yl)sulfonyl-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(5-chloro-2-thienyl)sulfonyl]-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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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(S4)Cl

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN2O5S2/c1-26-16-11-13(15-4-3-5-18(22-15)27-2)10-14-12-23(8-9-28-20(14)16)30(24,25)19-7-6-17(21)29-19/h3-7,10-11H,8-9,12H2,1-2H3