3-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-(2-chloro-1-oxoethyl)-2,6-dimethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-(2-chloroacetyl)-2,6-dimethylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propane-1-sulfonic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO4S/c1-10-5-3-6-11(2)13(10)15(12(16)9-14)7-4-8-20(17,18)19/h3,5-6H,4,7-9H2,1-2H3,(H,17,18,19)