(2R)-2-[(4-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(4-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[(4-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(4-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(4-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(p-toluoylamino)butyrate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-9-3-5-10(6-4-9)12(15)14-11(13(16)17)7-8-20(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m1/s1