5-(2-imidazol-1-ylethylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-(2-imidazol-1-ylethylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-(2-imidazol-1-ylethylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-[2-(1-imidazolyl)ethylsulfonyl]-2-methoxybenzoic acid IUPAC Name: 5-(2-imidazol-1-ylethylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-(2-imidazol-1-ylethylsulfonyl)-2-methoxy-benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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