9-methoxy-4-(phenylsulfonyl)-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-(phenylsulfonyl)-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(benzenesulfonyl)-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(benzenesulfonyl)-9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(benzenesulfonyl)-9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-besyl-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-30-24-15-19(20-13-18-7-5-6-10-23(18)26-16-20)14-21-17-27(11-12-31-25(21)24)32(28,29)22-8-3-2-4-9-22/h2-10,13-16H,11-12,17H2,1H3