5-(2-imidazol-1-ylethylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(2-imidazol-1-ylethylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(2-imidazol-1-ylethylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-[2-(1-imidazolyl)ethylsulfonyl]-2,4-dimethylbenzoic acid IUPAC Name: 5-(2-imidazol-1-ylethylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(2-imidazol-1-ylethylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2)C

InChI

InChI=1S/C14H16N2O4S/c1-10-7-11(2)13(8-12(10)14(17)18)21(19,20)6-5-16-4-3-15-9-16/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)