8-methyl-6-[3-methyl-4-(2-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methyl-6-[3-methyl-4-(2-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methyl-6-[3-methyl-4-(o-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[3-methyl-4-(2-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-[3-methyl-4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methyl-6-[3-methyl-4-(o-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C26H27N3O3S/c1-18-12-13-23-21(16-18)26(27-22-9-5-6-10-24(22)32-23)28-14-15-29(20(3)17-28)33(30,31)25-11-7-4-8-19(25)2/h4-13,16,20H,14-15,17H2,1-3H3