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

Systemtic Name: 8-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(o-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=C1S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

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