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

Systemtic Name: 2,8-dimethyl-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-2,8-dimethylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2,8-dimethylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-3-methyl-piperazino)-2,8-dimethyl-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=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

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