8-methyl-6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methyl-6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methyl-6-[4-(o-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[4-(2-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methyl-6-[4-(o-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C25H25N3O3S/c1-18-11-12-22-20(17-18)25(26-21-8-4-5-9-23(21)31-22)27-13-15-28(16-14-27)32(29,30)24-10-6-3-7-19(24)2/h3-12,17H,13-16H2,1-2H3