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

Systemtic Name: 2,8-dimethyl-6-[3-methyl-4-(2-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 2,8-dimethyl-6-[3-methyl-4-(o-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-[3-methyl-4-(2-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-[3-methyl-4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 2,8-dimethyl-6-[3-methyl-4-(o-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=C2C)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

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