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

Systemtic Name: 8-methyl-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methyl-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methyl-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C26H27N3O3S/c1-19-12-13-23-21(18-19)26(27-22-9-4-5-10-24(22)32-23)28-14-7-15-29(17-16-28)33(30,31)25-11-6-3-8-20(25)2/h3-6,8-13,18H,7,14-17H2,1-2H3