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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S/c1-4-13(11-7-5-6-9(2)8-11)12(10(3)14)18(15,16)17/h5-8,10,12,14H,4H2,1-3H3,(H,15,16,17)