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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCCC(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCCC(=O)O)Cl

InChI

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