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

Systemtic Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(m-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(m-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C26H27N3O4S/c1-19-7-5-8-21(17-19)34(30,31)29-14-6-13-28(15-16-29)26-22-18-20(32-2)11-12-24(22)33-25-10-4-3-9-23(25)27-26/h3-5,7-12,17-18H,6,13-16H2,1-2H3