sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonate CAS Name: sodium 3-(N-ethyl-3-methoxyanilino)-1-propanesulfonate IUPAC Name: sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate Traditional Name: sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonate Formula: C12H18NNaO4S MolecularWeight: 295.33039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S.Na/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1