9-methoxy-2-methyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-2-methyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-2-methyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-2-methyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-1,4-diazepan-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-15-5-8-18-20(13-15)28-19-14-16(27-2)6-7-17(19)21(22-18)23-9-4-10-24(12-11-23)29(3,25)26/h5-8,13-14H,4,9-12H2,1-3H3