sodium 2-[[(E)-but-2-enoyl]amino]propane-1-sulfonate

Systemtic Name: sodium 2-[[(E)-but-2-enoyl]amino]propane-1-sulfonate Openeye Name: sodium 2-[[(E)-but-2-enoyl]amino]propane-1-sulfonate CAS Name: sodium 2-[[(E)-1-oxobut-2-enyl]amino]-1-propanesulfonate IUPAC Name: sodium 2-[[(E)-but-2-enoyl]amino]propane-1-sulfonate Traditional Name: sodium 2-[[(E)-but-2-enoyl]amino]propane-1-sulfonate Formula: C7H12NNaO4S MolecularWeight: 229.22925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C(=O)NC(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H13NO4S.Na/c1-3-4-7(9)8-6(2)5-13(10,11)12;/h3-4,6H,5H2,1-2H3,(H,8,9)(H,10,11,12);/q;+1/p-1/b4-3+;