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

Systemtic Name: 9-methoxy-4-(phenylmethyl)sulfonyl-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-benzylsulfonyl-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-(phenylmethyl)sulfonyl-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-benzylsulfonyl-9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-benzylsulfonyl-9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)CC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)CC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H24N2O4S/c1-31-25-15-21(22-13-20-9-5-6-10-24(20)27-16-22)14-23-17-28(11-12-32-26(23)25)33(29,30)18-19-7-3-2-4-8-19/h2-10,13-16H,11-12,17-18H2,1H3