9-methoxy-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonylpiperazino)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

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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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O4S/c1-31-20-11-12-21-24(17-20)32-23-10-6-5-9-22(23)26-25(21)27-13-15-28(16-14-27)33(29,30)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3