sodium 2-[ethyl-(3-methylphenyl)amino]ethanesulfonate

Systemtic Name: sodium 2-[ethyl-(3-methylphenyl)amino]ethanesulfonate Openeye Name: sodium 2-(N-ethyl-3-methyl-anilino)ethanesulfonate CAS Name: sodium 2-(N-ethyl-3-methylanilino)ethanesulfonate IUPAC Name: sodium 2-(N-ethyl-3-methylanilino)ethanesulfonate Traditional Name: sodium 2-(N-ethyl-3-methyl-anilino)ethanesulfonate Formula: C11H16NNaO3S MolecularWeight: 265.30441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

Isomeric SMILES

CCN(CCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

InChI

InChI=1S/C11H17NO3S.Na/c1-3-12(7-8-16(13,14)15)11-6-4-5-10(2)9-11;/h4-6,9H,3,7-8H2,1-2H3,(H,13,14,15);/q;+1/p-1