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

Systemtic Name: 10-methoxy-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 10-methoxy-6-[4-(m-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 10-methoxy-6-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 10-methoxy-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 10-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=CC=C5OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

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