3-(2-imidazol-1-ylethylsulfonyl)-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(2-imidazol-1-ylethylsulfonyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-imidazol-1-ylethylsulfonyl)-4,5-dimethyl-benzoic acid CAS Name: 3-[2-(1-imidazolyl)ethylsulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-(2-imidazol-1-ylethylsulfonyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(2-imidazol-1-ylethylsulfonyl)-4,5-dimethyl-benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCN2C=CN=C2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCN2C=CN=C2)C

InChI

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