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

Systemtic Name: 3-[(3,5-dimethylphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-3,5-dimethyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(N-ethyl-3,5-dimethylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-3,5-dimethylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(N-ethyl-3,5-dimethyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4S/c1-4-14(8-13(15)9-19(16,17)18)12-6-10(2)5-11(3)7-12/h5-7,13,15H,4,8-9H2,1-3H3,(H,16,17,18)