3-methylsulfonyl-4-(2-oxidanylpropylamino)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(2-oxidanylpropylamino)benzoic acid Openeye Name: 4-(2-hydroxypropylamino)-3-methylsulfonyl-benzoic acid CAS Name: 4-(2-hydroxypropylamino)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(2-hydroxypropylamino)-3-methylsulfonylbenzoic acid Traditional Name: 4-(2-hydroxypropylamino)-3-mesyl-benzoic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C11H15NO5S/c1-7(13)6-12-9-4-3-8(11(14)15)5-10(9)18(2,16)17/h3-5,7,12-13H,6H2,1-2H3,(H,14,15)