2-[[4-(hydroxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-(hydroxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-(hydroxymethyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-(hydroxymethyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-(hydroxymethyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[(4-methylolbenzoyl)amino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)CO

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)CO

InChI

InChI=1S/C13H17NO6S/c1-21(19,20)7-6-11(13(17)18)14-12(16)10-4-2-9(8-15)3-5-10/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)