sodium 3-[ethyl-(3-methoxyphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: sodium 3-[ethyl-(3-methoxyphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: sodium 3-(N-ethyl-3-methoxy-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: sodium 3-(N-ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: sodium 3-(N-ethyl-3-methoxyanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: sodium 3-(N-ethyl-3-methoxy-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C12H19NNaO5S+ MolecularWeight: 312.33773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO5S.Na/c1-3-13(8-11(14)9-19(15,16)17)10-5-4-6-12(7-10)18-2;/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1