6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-1-piperazinyl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazino]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C)F

InChI

InChI=1S/C26H26FN3O4S/c1-17-4-9-23-25(14-17)34-24-15-19(33-3)6-8-21(24)26(28-23)29-10-12-30(13-11-29)35(31,32)20-7-5-18(2)22(27)16-20/h4-9,14-16H,10-13H2,1-3H3