6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazino]-10-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=C5OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC)F

InChI

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