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

Systemtic Name: 3-[(3,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonic acid; sodium Openeye Name: 3-(N-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid; sodium CAS Name: 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid; sodium IUPAC Name: 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid; sodium Traditional Name: 3-(N-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid; sodium Formula: C13H21NNaO6S MolecularWeight: 342.36371

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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);