9-methoxy-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-3-methyl-piperazino)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C25H25N3O4S/c1-18-17-27(14-15-28(18)33(29,30)20-8-4-3-5-9-20)25-21-13-12-19(31-2)16-24(21)32-23-11-7-6-10-22(23)26-25/h3-13,16,18H,14-15,17H2,1-2H3