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

Systemtic Name: 3-[ethyl-(2-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(N-ethyl-2-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-2-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(N-ethyl-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC=C1C

Isomeric SMILES

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC=C1C

InChI

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