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

Systemtic Name: 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: 2-[(4-chloro-3-methylsulfonyl-benzoyl)amino]butanoic acid CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(4-chloro-3-mesyl-benzoyl)amino]butyric acid Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO5S/c1-3-9(12(16)17)14-11(15)7-4-5-8(13)10(6-7)20(2,18)19/h4-6,9H,3H2,1-2H3,(H,14,15)(H,16,17)