3-[(3,5-dimethylphenyl)-methyl-amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-methyl-amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-(N,3,5-trimethylanilino)propane-1-sulfonic acid CAS Name: 2-hydroxy-3-(N,3,5-trimethylanilino)-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-(N,3,5-trimethylanilino)propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-(N,3,5-trimethylanilino)propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C)CC(CS(=O)(=O)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C)CC(CS(=O)(=O)O)O)C

InChI

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