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

Systemtic Name: 3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 3-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 3-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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