3-[ethyl-(3-methylphenyl)amino]-3-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[ethyl-(3-methylphenyl)amino]-3-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-3-methyl-anilino)-3-hydroxy-propane-1-sulfonic acid CAS Name: 3-(N-ethyl-3-methylanilino)-3-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-3-methylanilino)-3-hydroxypropane-1-sulfonic acid Traditional Name: 3-(N-ethyl-3-methyl-anilino)-3-hydroxy-propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(CCS(=O)(=O)O)O

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(CCS(=O)(=O)O)O

InChI

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