9-methoxy-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-1,4-diazepan-1-yl)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O4S/c1-31-19-12-13-21-24(18-19)32-23-11-6-5-10-22(23)26-25(21)27-14-7-15-28(17-16-27)33(29,30)20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3