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

Systemtic Name: sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonic acid Openeye Name: sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonic acid CAS Name: sodium 3-(N-ethyl-3-methoxyanilino)-1-propanesulfonic acid IUPAC Name: sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonic acid Traditional Name: sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonic acid Formula: C12H19NNaO4S+ MolecularWeight: 296.33833

Click to see the large picture

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