[4-[(E)-[(4-aminophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(E)-[(4-aminophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-[[(4-aminophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23N3O5S/c1-15-4-5-16(2)22(12-15)32(28,29)31-20-11-6-17(13-21(20)30-3)14-25-26-23(27)18-7-9-19(24)10-8-18/h4-14H,24H2,1-3H3,(H,26,27)/b25-14+