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

Systemtic Name: 8-methoxy-2-methyl-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-1,4-diazepan-1-yl)-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c1-19-9-11-23-25(17-19)33-24-12-10-20(32-2)18-22(24)26(27-23)28-13-6-14-29(16-15-28)34(30,31)21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16H2,1-2H3