phenyl 3-fluoranyl-2-[(E)-[2-(3-methoxyphenyl)ethanoylhydrazinylidene]methyl]-4-methyl-benzenesulfonate

Systemtic Name: phenyl 3-fluoranyl-2-[(E)-[2-(3-methoxyphenyl)ethanoylhydrazinylidene]methyl]-4-methyl-benzenesulfonate Openeye Name: phenyl 3-fluoro-2-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazono]methyl]-4-methyl-benzenesulfonate CAS Name: 3-fluoro-2-[(E)-[[2-(3-methoxyphenyl)-1-oxoethyl]hydrazinylidene]methyl]-4-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-fluoro-2-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-methylbenzenesulfonate Traditional Name: 3-fluoro-2-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazono]methyl]-4-methyl-benzenesulfonic acid phenyl ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)C=NNC(=O)CC3=CC(=CC=C3)OC)F

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)/C=N/NC(=O)CC3=CC(=CC=C3)OC)F

InChI

InChI=1S/C23H21FN2O5S/c1-16-11-12-21(32(28,29)31-18-8-4-3-5-9-18)20(23(16)24)15-25-26-22(27)14-17-7-6-10-19(13-17)30-2/h3-13,15H,14H2,1-2H3,(H,26,27)/b25-15+