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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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