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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-3-4-10(13(17)18)15-12(16)8-5-6-9(14)11(7-8)21(2,19)20/h5-7,10H,3-4H2,1-2H3,(H,15,16)(H,17,18)