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

Systemtic Name: 2-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-[2-(1-imidazolyl)ethylsulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(2-imidazol-1-ylethylsulfonyl)phenyl]acetic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C13H14N2O4S/c16-13(17)9-11-1-3-12(4-2-11)20(18,19)8-7-15-6-5-14-10-15/h1-6,10H,7-9H2,(H,16,17)