2-(1H-imidazol-5-yl)-2-(4-methylphenyl)sulfonyl-ethanoic acid

Systemtic Name: 2-(1H-imidazol-5-yl)-2-(4-methylphenyl)sulfonyl-ethanoic acid Openeye Name: 2-(1H-imidazol-5-yl)-2-(p-tolylsulfonyl)acetic acid CAS Name: 2-(1H-imidazol-5-yl)-2-(4-methylphenyl)sulfonylacetic acid IUPAC Name: 2-(1H-imidazol-5-yl)-2-(4-methylphenyl)sulfonylacetic acid Traditional Name: 2-(1H-imidazol-5-yl)-2-tosyl-acetic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CN2)C(=O)O

InChI

InChI=1S/C12H12N2O4S/c1-8-2-4-9(5-3-8)19(17,18)11(12(15)16)10-6-13-7-14-10/h2-7,11H,1H3,(H,13,14)(H,15,16)