(2R)-2-[(2,3-dimethylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(2,3-dimethylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[(2,3-dimethylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(2,3-dimethylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(2,3-dimethylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-2-[(2,3-dimethylbenzoyl)amino]-4-mesyl-butyrate Formula: C14H18NO5S- MolecularWeight: 312.36142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NC(CCS(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C14H19NO5S/c1-9-5-4-6-11(10(9)2)13(16)15-12(14(17)18)7-8-21(3,19)20/h4-6,12H,7-8H2,1-3H3,(H,15,16)(H,17,18)/p-1/t12-/m1/s1