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

Systemtic Name: 9-methoxy-2-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besylpiperazino)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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