potassium 4-[[1-azanyl-3-(2-hydroxyethyl)-5-oxidanyl-pentan-3-yl]-methylsulfonyl-amino]butane-1-sulfonate

Systemtic Name: potassium 4-[[1-azanyl-3-(2-hydroxyethyl)-5-oxidanyl-pentan-3-yl]-methylsulfonyl-amino]butane-1-sulfonate Openeye Name: potassium 4-[[1-(2-aminoethyl)-3-hydroxy-1-(2-hydroxyethyl)propyl]-methylsulfonyl-amino]butane-1-sulfonate CAS Name: potassium 4-[[1-amino-5-hydroxy-3-(2-hydroxyethyl)pentan-3-yl]-methylsulfonylamino]-1-butanesulfonate IUPAC Name: potassium 4-[[1-amino-5-hydroxy-3-(2-hydroxyethyl)pentan-3-yl]-methylsulfonylamino]butane-1-sulfonate Traditional Name: potassium 4-[[1-(2-aminoethyl)-3-hydroxy-1-(2-hydroxyethyl)propyl]-mesyl-amino]butane-1-sulfonate Formula: C12H27KN2O7S2 MolecularWeight: 414.58028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCS(=O)(=O)[O-])C(CCN)(CCO)CCO.[K+]

Isomeric SMILES

CS(=O)(=O)N(CCCCS(=O)(=O)[O-])C(CCN)(CCO)CCO.[K+]

InChI

InChI=1S/C12H28N2O7S2.K/c1-22(17,18)14(8-2-3-11-23(19,20)21)12(4-7-13,5-9-15)6-10-16;/h15-16H,2-11,13H2,1H3,(H,19,20,21);/q;+1/p-1