4-[methyl-(4-methylsulfonylphenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(4-methylsulfonylphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(4-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 4-[methyl-[(4-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(4-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-[(4-mesylbenzoyl)-methyl-amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-14(9-3-4-12(15)16)13(17)10-5-7-11(8-6-10)20(2,18)19/h5-8H,3-4,9H2,1-2H3,(H,15,16)