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

Systemtic Name: 9-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-(4-methylsulfonyl-1,4-diazepan-1-yl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-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-benzo[b][1,4]benzoxazepine Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)S(=O)(=O)C

InChI

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