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

Systemtic Name: 10-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 10-methoxy-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 10-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 10-methoxy-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 10-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=CC=C5OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

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