(2R)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-4-methylsulfonyl-2-(m-tolylsulfonylamino)butanoate CAS Name: (2R)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(m-tolylsulfonylamino)butyrate Formula: C12H16NO6S2- MolecularWeight: 334.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO6S2/c1-9-4-3-5-10(8-9)21(18,19)13-11(12(14)15)6-7-20(2,16)17/h3-5,8,11,13H,6-7H2,1-2H3,(H,14,15)/p-1/t11-/m1/s1