3-[2-chloranylethanoyl-(2-ethylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[2-chloranylethanoyl-(2-ethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-(2-chloroacetyl)-2-ethyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-(2-chloro-1-oxoethyl)-2-ethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-(2-chloroacetyl)-2-ethylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-(2-chloroacetyl)-2-ethyl-anilino)propane-1-sulfonic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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