[4-[(E)-[(4-aminophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[(4-aminophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(4-aminophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-15-3-10-19(11-4-15)31(27,28)30-20-12-5-16(13-21(20)29-2)14-24-25-22(26)17-6-8-18(23)9-7-17/h3-14H,23H2,1-2H3,(H,25,26)/b24-14+