3-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 3-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]sulfonylbenzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-8(12(15)14-10-5-6-10)20(18,19)11-4-2-3-9(7-11)13(16)17/h2-4,7-8,10H,5-6H2,1H3,(H,14,15)(H,16,17)