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

Systemtic Name: 8-methoxy-2-methyl-6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-2-methyl-6-[4-(o-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-2-methyl-6-[4-(2-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-2-methyl-6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-2-methyl-6-[4-(o-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C26H27N3O4S/c1-18-8-10-22-24(16-18)33-23-11-9-20(32-3)17-21(23)26(27-22)28-12-14-29(15-13-28)34(30,31)25-7-5-4-6-19(25)2/h4-11,16-17H,12-15H2,1-3H3