3-[ethyl-(4-methylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[ethyl-(4-methylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-4-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-ethyl-4-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-4-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-ethyl-4-methyl-anilino)propane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-3-13(9-4-10-17(14,15)16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,16)