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

Systemtic Name: 9-methoxy-6-[4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besylpiperazino)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H23N3O4S/c1-30-18-11-12-20-23(17-18)31-22-10-6-5-9-21(22)25-24(20)26-13-15-27(16-14-26)32(28,29)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3