3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-3-9(2)14-12(15)8-20(18,19)11-6-4-5-10(7-11)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)