3-methylsulfonyl-4-(propan-2-ylamino)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(propan-2-ylamino)benzoic acid Openeye Name: 4-(isopropylamino)-3-methylsulfonyl-benzoic acid CAS Name: 3-methylsulfonyl-4-(propan-2-ylamino)benzoic acid IUPAC Name: 3-methylsulfonyl-4-(propan-2-ylamino)benzoic acid Traditional Name: 4-(isopropylamino)-3-mesyl-benzoic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H15NO4S/c1-7(2)12-9-5-4-8(11(13)14)6-10(9)17(3,15)16/h4-7,12H,1-3H3,(H,13,14)