2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-chloro-3-methylsulfonyl-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-chloro-3-mesyl-benzoyl)amino]-3-methyl-butyric acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-7(2)11(13(17)18)15-12(16)8-4-5-9(14)10(6-8)21(3,19)20/h4-7,11H,1-3H3,(H,15,16)(H,17,18)