9-methoxy-7-pyridin-3-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-pyridin-3-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(3-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(3-pyridinyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-pyridin-3-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(3-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C19H18N2O4S2/c1-24-17-11-15(14-4-2-6-20-12-14)10-16-13-21(7-8-25-19(16)17)27(22,23)18-5-3-9-26-18/h2-6,9-12H,7-8,13H2,1H3