8-methyl-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methyl-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-3-methyl-piperazino)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

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