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

Systemtic Name: 8-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-1,4-diazepan-1-yl)-8-methoxy-benzo[b][1,4]benzoxazepine Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O4S/c1-26-15-8-9-18-16(14-15)20(21-17-6-3-4-7-19(17)27-18)22-10-5-11-23(13-12-22)28(2,24)25/h3-4,6-9,14H,5,10-13H2,1-2H3