4-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-methyl-amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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