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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-4-14(6-5-7-18(15,16)17)13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H,15,16,17)