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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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