2-[3-(4-methylphenyl)sulfonylimidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylimidazol-4-yl]ethanoic acid Openeye Name: 2-[3-(p-tolylsulfonyl)imidazol-4-yl]acetic acid CAS Name: 2-[3-(4-methylphenyl)sulfonyl-4-imidazolyl]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfonylimidazol-4-yl]acetic acid Traditional Name: 2-(3-tosylimidazol-4-yl)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)N2C=NC=C2CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2CC(=O)O

InChI

InChI=1S/C12H12N2O4S/c1-9-2-4-11(5-3-9)19(17,18)14-8-13-7-10(14)6-12(15)16/h2-5,7-8H,6H2,1H3,(H,15,16)