9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 9-methoxy-6-[4-(3-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=C(C=C3)OC)N4CCCN(CC4)S(=O)(=O)C5=CC=CC(=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-19-8-11-24-26(16-19)35-25-18-21(34-3)9-10-23(25)27(28-24)29-12-5-13-30(15-14-29)36(31,32)22-7-4-6-20(17-22)33-2/h4,6-11,16-18H,5,12-15H2,1-3H3