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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCCN(CC4)S(=O)(=O)C

InChI

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