(2R)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylbutanoic acid

Systemtic Name: (2R)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylbutanoic acid Openeye Name: (2R)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfonylbutanoic acid CAS Name: (2R)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylbutanoic acid IUPAC Name: (2R)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylbutanoic acid Traditional Name: (2R)-2-[2-keto-2-(m-toluidino)ethyl]sulfonylbutyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)(=O)CC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CC[C@H](C(=O)O)S(=O)(=O)CC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C13H17NO5S/c1-3-11(13(16)17)20(18,19)8-12(15)14-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1