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

Systemtic Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-18-11-12-24-22(15-18)26(27-23-9-4-5-10-25(23)33-24)28-13-14-29(19(2)17-28)34(30,31)21-8-6-7-20(16-21)32-3/h4-12,15-16,19H,13-14,17H2,1-3H3