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

Systemtic Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazino]benzo[b][1,4]benzoxazepine Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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