3-fluoranyl-5-(2-imidazol-1-ylethylsulfonyl)-4-methyl-benzoic acid

Systemtic Name: 3-fluoranyl-5-(2-imidazol-1-ylethylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-fluoro-5-(2-imidazol-1-ylethylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-fluoro-5-[2-(1-imidazolyl)ethylsulfonyl]-4-methylbenzoic acid IUPAC Name: 3-fluoro-5-(2-imidazol-1-ylethylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-fluoro-5-(2-imidazol-1-ylethylsulfonyl)-4-methyl-benzoic acid Formula: C13H13FN2O4S MolecularWeight: 312.316723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CCN2C=CN=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CCN2C=CN=C2)C(=O)O)F

InChI

InChI=1S/C13H13FN2O4S/c1-9-11(14)6-10(13(17)18)7-12(9)21(19,20)5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3,(H,17,18)