3-(2-imidazol-1-ylethylsulfonyl)-4-methoxy-benzoic acid

Systemtic Name: 3-(2-imidazol-1-ylethylsulfonyl)-4-methoxy-benzoic acid Openeye Name: 3-(2-imidazol-1-ylethylsulfonyl)-4-methoxy-benzoic acid CAS Name: 3-[2-(1-imidazolyl)ethylsulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-(2-imidazol-1-ylethylsulfonyl)-4-methoxybenzoic acid Traditional Name: 3-(2-imidazol-1-ylethylsulfonyl)-4-methoxy-benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C13H14N2O5S/c1-20-11-3-2-10(13(16)17)8-12(11)21(18,19)7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)