methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate

Systemtic Name: methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate Openeye Name: methyl (4E)-4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-(p-tolylsulfonylhydrazono)butanoate CAS Name: (4E)-4-[1-(benzenesulfonyl)-3-pyrrolyl]-4-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid methyl ester IUPAC Name: methyl (4E)-4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-[(4-methylphenyl)sulfonylhydrazinylidene]butanoate Traditional Name: (4E)-4-(1-besylpyrrol-3-yl)-4-(tosylhydrazono)butyric acid methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C(CCC(=O)OC)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\CCC(=O)OC)/C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S2/c1-17-8-10-19(11-9-17)32(27,28)24-23-21(12-13-22(26)31-2)18-14-15-25(16-18)33(29,30)20-6-4-3-5-7-20/h3-11,14-16,24H,12-13H2,1-2H3/b23-21+