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

Systemtic Name: (2R)-2-[(3-methylphenyl)carbamoylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-4-methylsulfonyl-2-(m-tolylcarbamoylamino)butanoate CAS Name: (2R)-2-[[(3-methylanilino)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(3-methylphenyl)carbamoylamino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(m-tolylcarbamoylamino)butyrate Formula: C13H17N2O5S- MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-9-4-3-5-10(8-9)14-13(18)15-11(12(16)17)6-7-21(2,19)20/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m1/s1