3-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-[2-(1-imidazolyl)ethylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]propionic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C14H16N2O4S/c17-14(18)6-3-12-1-4-13(5-2-12)21(19,20)10-9-16-8-7-15-11-16/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,17,18)