4-[methyl-[4-(methylsulfonylmethyl)phenyl]carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-[4-(methylsulfonylmethyl)phenyl]carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid CAS Name: 4-[methyl-[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[4-(mesylmethyl)benzoyl]-methyl-amino]butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC=C(C=C1)CS(=O)(=O)C

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC=C(C=C1)CS(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-15(9-3-4-13(16)17)14(18)12-7-5-11(6-8-12)10-21(2,19)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)