sodium 3-[(3,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-[(3,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(N-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonate IUPAC Name: sodium 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate Traditional Name: sodium 3-(N-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonate Formula: C13H20NNaO6S MolecularWeight: 341.35577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO6S.Na/c1-4-14(8-11(15)9-21(16,17)18)10-5-12(19-2)7-13(6-10)20-3;/h5-7,11,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1