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

Systemtic Name: 3-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]sulfonylbenzoic acid CAS Name: 3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(sec-butylamino)ethyl]sulfonylbenzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-4-9(2)15-13(16)10(3)21(19,20)12-7-5-6-11(8-12)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18)