9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazino]benzo[b][1,4]benzoxazepine Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C25H25N3O5S/c1-31-18-6-5-7-20(16-18)34(29,30)28-14-12-27(13-15-28)25-21-11-10-19(32-2)17-24(21)33-23-9-4-3-8-22(23)26-25/h3-11,16-17H,12-15H2,1-2H3