[4-[(E)-(1H-indol-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(E)-(1H-indol-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-(1H-indole-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-[[1H-indol-3-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(1H-indole-3-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(1H-indole-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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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=CNC4=CC=CC=C43)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C25H23N3O5S/c1-16-8-9-17(2)24(12-16)34(30,31)33-22-11-10-18(13-23(22)32-3)14-27-28-25(29)20-15-26-21-7-5-4-6-19(20)21/h4-15,26H,1-3H3,(H,28,29)/b27-14+