3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid

Systemtic Name: 3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid Openeye Name: 3-[2-(isobutylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(isobutylamino)-2-keto-ethyl]sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-9(2)7-14-12(15)8-20(18,19)11-5-3-4-10(6-11)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)