2-[(5-methyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(5-methyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-hydroxy-5-methyl-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(2-hydroxy-5-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(2-hydroxy-5-methyl-benzoyl)amino]-4-mesyl-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-8-3-4-11(15)9(7-8)12(16)14-10(13(17)18)5-6-21(2,19)20/h3-4,7,10,15H,5-6H2,1-2H3,(H,14,16)(H,17,18)