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

Systemtic Name: 1-[(3,5-dimethylphenyl)-ethyl-amino]propane-1-sulfonic acid Openeye Name: 1-(N-ethyl-3,5-dimethyl-anilino)propane-1-sulfonic acid CAS Name: 1-(N-ethyl-3,5-dimethylanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid Traditional Name: 1-(N-ethyl-3,5-dimethyl-anilino)propane-1-sulfonic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC(=CC(=C1)C)C)S(=O)(=O)O

Isomeric SMILES

CCC(N(CC)C1=CC(=CC(=C1)C)C)S(=O)(=O)O

InChI

InChI=1S/C13H21NO3S/c1-5-13(18(15,16)17)14(6-2)12-8-10(3)7-11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,16,17)