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

Systemtic Name: 3-[2-chloranylethanoyl-(3,5-dimethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-(2-chloro-1-oxoethyl)-3,5-dimethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-(2-chloroacetyl)-3,5-dimethylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propane-1-sulfonic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCCS(=O)(=O)O)C(=O)CCl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCCS(=O)(=O)O)C(=O)CCl)C

InChI

InChI=1S/C13H18ClNO4S/c1-10-6-11(2)8-12(7-10)15(13(16)9-14)4-3-5-20(17,18)19/h6-8H,3-5,9H2,1-2H3,(H,17,18,19)