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

Systemtic Name: 9-methoxy-2-methyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonylpiperazino)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c1-19-8-11-23-25(16-19)33-24-17-21(32-2)9-10-22(24)26(27-23)28-12-14-29(15-13-28)34(30,31)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3