2-[1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylethanoic acid

Systemtic Name: 2-[1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylethanoic acid Openeye Name: 2-[2-(butylamino)-1-methyl-2-oxo-ethyl]sulfonylacetic acid CAS Name: 2-[1-(butylamino)-1-oxopropan-2-yl]sulfonylacetic acid IUPAC Name: 2-[1-(butylamino)-1-oxopropan-2-yl]sulfonylacetic acid Traditional Name: 2-[2-(butylamino)-2-keto-1-methyl-ethyl]sulfonylacetic acid Formula: C9H17NO5S MolecularWeight: 251.29998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)S(=O)(=O)CC(=O)O

Isomeric SMILES

CCCCNC(=O)C(C)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H17NO5S/c1-3-4-5-10-9(13)7(2)16(14,15)6-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)