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

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-3-methyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonyl-3-methyl-piperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O3S/c1-17-8-11-24-21(14-17)26(28-23-6-4-5-7-25(23)33-24)29-12-13-30(19(3)16-29)34(31,32)20-10-9-18(2)22(27)15-20/h4-11,14-15,19H,12-13,16H2,1-3H3