2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(2-methyl-5-methylsulfonyl-benzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(5-mesyl-2-methyl-benzoyl)amino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-7-4-5-9(21(3,19)20)6-10(7)12(16)14-11(8(2)15)13(17)18/h4-6,8,11,15H,1-3H3,(H,14,16)(H,17,18)