ethanoyl chloride; 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: ethanoyl chloride; 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: acetyl chloride; 3-methyl-2-(p-tolylsulfonylamino)butanoic acid CAS Name: acetyl chloride; 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: acetyl chloride; 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: acetyl chloride; 3-methyl-2-(tosylamino)butyric acid Formula: C14H20ClNO5S MolecularWeight: 349.8303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O.CC(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O.CC(=O)Cl

InChI

InChI=1S/C12H17NO4S.C2H3ClO/c1-8(2)11(12(14)15)13-18(16,17)10-6-4-9(3)5-7-10;1-2(3)4/h4-8,11,13H,1-3H3,(H,14,15);1H3