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

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazino]-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC)F

InChI

InChI=1S/C25H24FN3O4S/c1-17-7-9-19(16-21(17)26)34(30,31)29-13-11-28(12-14-29)25-20-10-8-18(32-2)15-24(20)33-23-6-4-3-5-22(23)27-25/h3-10,15-16H,11-14H2,1-2H3