[2-ethoxy-4-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-ethoxy-4-[(E)-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2N3C=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2N3C=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5S/c1-2-33-25-18-20(14-15-24(25)34-35(31,32)21-10-4-3-5-11-21)19-27-28-26(30)22-12-6-7-13-23(22)29-16-8-9-17-29/h3-19H,2H2,1H3,(H,28,30)/b27-19+