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

Systemtic Name: 2,8-dimethyl-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 2,8-dimethyl-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-(3-methyl-4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-(3-methyl-4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-3-methyl-piperazino)-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

InChI

InChI=1S/C21H25N3O3S/c1-14-6-8-19-17(11-14)21(22-18-7-5-15(2)12-20(18)27-19)23-9-10-24(16(3)13-23)28(4,25)26/h5-8,11-12,16H,9-10,13H2,1-4H3