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

Systemtic Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(m-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(m-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C25H25N3O4S/c1-18-6-5-7-20(16-18)33(29,30)28-14-12-27(13-15-28)25-21-17-19(31-2)10-11-23(21)32-24-9-4-3-8-22(24)26-25/h3-11,16-17H,12-15H2,1-2H3