methyl 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-keto-butyric acid methyl ester Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

COC(=O)CCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H19N5O6S/c1-31-20(28)9-8-19(27)25-21-23-17-7-4-15(12-18(17)24-21)32-33(29,30)16-5-2-14(3-6-16)26-11-10-22-13-26/h2-7,10-13H,8-9H2,1H3,(H2,23,24,25,27)