8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Formula: C27H29N3O5S MolecularWeight: 507.60126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H29N3O5S/c1-19-5-11-24-26(17-19)35-25-12-8-21(34-3)18-23(25)27(28-24)29-13-4-14-30(16-15-29)36(31,32)22-9-6-20(33-2)7-10-22/h5-12,17-18H,4,13-16H2,1-3H3