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

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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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=CS4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N2O5S2/c1-25-17-12-14(16-5-3-6-18(21-16)26-2)11-15-13-22(8-9-27-20(15)17)29(23,24)19-7-4-10-28-19/h3-7,10-12H,8-9,13H2,1-2H3