2-(1H-imidazol-5-yl)-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-(1H-imidazol-5-yl)-4-methylsulfonyl-butanoic acid Openeye Name: 2-(1H-imidazol-5-yl)-4-methylsulfonyl-butanoic acid CAS Name: 2-(1H-imidazol-5-yl)-4-methylsulfonylbutanoic acid IUPAC Name: 2-(1H-imidazol-5-yl)-4-methylsulfonylbutanoic acid Traditional Name: 2-(1H-imidazol-5-yl)-4-mesyl-butyric acid Formula: C8H12N2O4S MolecularWeight: 232.25688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C1=CN=CN1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(C1=CN=CN1)C(=O)O

InChI

InChI=1S/C8H12N2O4S/c1-15(13,14)3-2-6(8(11)12)7-4-9-5-10-7/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)