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

Systemtic Name: 4-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 4-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C12H12N2O4S/c15-12(16)10-1-3-11(4-2-10)19(17,18)8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)