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

Systemtic Name: 8-methyl-6-[3-methyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonyl-3-methyl-piperazin-1-yl)-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[3-methyl-4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonyl-3-methylpiperazin-1-yl)-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonyl-3-methyl-piperazino)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C26H27N3O3S/c1-19-12-13-24-22(16-19)26(27-23-10-6-7-11-25(23)32-24)28-14-15-29(20(2)17-28)33(30,31)18-21-8-4-3-5-9-21/h3-13,16,20H,14-15,17-18H2,1-2H3