2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylethanoate

Systemtic Name: 2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylethanoate Openeye Name: 2-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]sulfonylacetate CAS Name: 2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]sulfonylacetate IUPAC Name: 2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]sulfonylacetate Traditional Name: 2-[(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]sulfonylacetate Formula: C9H16NO5S- MolecularWeight: 250.29204

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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@H](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)/p-1/t7-/m0/s1