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

Systemtic Name: 2,8-dimethyl-6-[3-methyl-4-(3-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 2,8-dimethyl-6-[3-methyl-4-(m-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-[3-methyl-4-(3-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-[3-methyl-4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 2,8-dimethyl-6-[3-methyl-4-(m-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-18-6-5-7-22(14-18)34(31,32)30-13-12-29(17-21(30)4)27-23-15-19(2)9-11-25(23)33-26-16-20(3)8-10-24(26)28-27/h5-11,14-16,21H,12-13,17H2,1-4H3