sodium 4-[1,4-bis(oxidanyl)butan-2-ylamino]-2-(methylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[1,4-bis(oxidanyl)butan-2-ylamino]-2-(methylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: sodium 4-[[3-hydroxy-1-(hydroxymethyl)propyl]amino]-2-(methanesulfonamido)-4-oxo-butanoate CAS Name: sodium 4-(1,4-dihydroxybutan-2-ylamino)-2-(methanesulfonamido)-4-oxobutanoate IUPAC Name: sodium 4-(1,4-dihydroxybutan-2-ylamino)-2-(methanesulfonamido)-4-oxobutanoate Traditional Name: sodium 4-[(3-hydroxy-1-methylol-propyl)amino]-4-keto-2-(methanesulfonamido)butyrate Formula: C9H17N2NaO7S MolecularWeight: 320.29525

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC(=O)NC(CCO)CO)C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)NC(CC(=O)NC(CCO)CO)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H18N2O7S.Na/c1-19(17,18)11-7(9(15)16)4-8(14)10-6(5-13)2-3-12;/h6-7,11-13H,2-5H2,1H3,(H,10,14)(H,15,16);/q;+1/p-1