3-[2,2-bis(chloranyl)ethanoyl-(2-ethyl-6-methyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[2,2-bis(chloranyl)ethanoyl-(2-ethyl-6-methyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-(2,2-dichloroacetyl)-2-ethyl-6-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-(2,2-dichloro-1-oxoethyl)-2-ethyl-6-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-(2,2-dichloroacetyl)-2-ethyl-6-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-(2,2-dichloroacetyl)-2-ethyl-6-methyl-anilino)propane-1-sulfonic acid Formula: C14H19Cl2NO4S MolecularWeight: 368.27596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(CCCS(=O)(=O)O)C(=O)C(Cl)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1N(CCCS(=O)(=O)O)C(=O)C(Cl)Cl)C

InChI

InChI=1S/C14H19Cl2NO4S/c1-3-11-7-4-6-10(2)12(11)17(14(18)13(15)16)8-5-9-22(19,20)21/h4,6-7,13H,3,5,8-9H2,1-2H3,(H,19,20,21)