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

Systemtic Name: 2,8-dimethyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)-2,8-dimethylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonylpiperazino)-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

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