4-[methyl-(3-methylsulfonylphenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(3-methylsulfonylphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(3-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 4-[methyl-[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-[(3-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(=CC=C1)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-14(8-4-7-12(15)16)13(17)10-5-3-6-11(9-10)20(2,18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,16)