2,8-dimethyl-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

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