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

Systemtic Name: 9-methoxy-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c1-32-21-12-13-22-25(18-21)33-24-11-6-5-10-23(24)27-26(22)28-14-7-15-29(17-16-28)34(30,31)19-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17,19H2,1H3