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

Systemtic Name: 10-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 10-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 10-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 10-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 10-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=C5OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

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