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

Systemtic Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

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