sodium 2-[ethoxymethyl-(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-[ethoxymethyl-(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 2-[N-(ethoxymethyl)-2-ethyl-6-methyl-anilino]-2-oxo-ethanesulfonate CAS Name: sodium 2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonate IUPAC Name: sodium 2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonate Traditional Name: sodium 2-[N-(ethoxymethyl)-2-ethyl-6-methyl-anilino]-2-keto-ethanesulfonate Formula: C14H20NNaO5S MolecularWeight: 337.36707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(COCC)C(=O)CS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1=CC=CC(=C1N(COCC)C(=O)CS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C14H21NO5S.Na/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19;/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);/q;+1/p-1