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

Systemtic Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C26H27N3O5S/c1-32-19-7-5-8-21(17-19)35(30,31)29-14-6-13-28(15-16-29)26-22-12-11-20(33-2)18-25(22)34-24-10-4-3-9-23(24)27-26/h3-5,7-12,17-18H,6,13-16H2,1-2H3