sodium 3-[ethyl(phenyl)amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-[ethyl(phenyl)amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(N-ethylanilino)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 3-(N-ethylanilino)-2-hydroxy-1-propanesulfonate IUPAC Name: sodium 3-(N-ethylanilino)-2-hydroxypropane-1-sulfonate Traditional Name: sodium 3-(N-ethylanilino)-2-hydroxy-propane-1-sulfonate Formula: C11H16NNaO4S MolecularWeight: 281.30381

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC=C1.[Na+]

Isomeric SMILES

CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C11H17NO4S.Na/c1-2-12(10-6-4-3-5-7-10)8-11(13)9-17(14,15)16;/h3-7,11,13H,2,8-9H2,1H3,(H,14,15,16);/q;+1/p-1