3-[2-chloranylethanoyl-(3,5-dimethylphenyl)amino]propyl hydrogen sulfate

Systemtic Name: 3-[2-chloranylethanoyl-(3,5-dimethylphenyl)amino]propyl hydrogen sulfate Openeye Name: 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(N-(2-chloro-1-oxoethyl)-3,5-dimethylanilino)propyl ester IUPAC Name: 3-(N-(2-chloroacetyl)-3,5-dimethylanilino)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propyl ester Formula: C13H18ClNO5S MolecularWeight: 335.80372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO5S/c1-10-6-11(2)8-12(7-10)15(13(16)9-14)4-3-5-20-21(17,18)19/h6-8H,3-5,9H2,1-2H3,(H,17,18,19)