(2R)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(3-hydroxy-4-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-4-mesyl-butyrate Formula: C13H16NO6S- MolecularWeight: 314.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)[O-])O

InChI

InChI=1S/C13H17NO6S/c1-8-3-4-9(7-11(8)15)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)/p-1/t10-/m1/s1