3-methyl-2-[(4-methylsulfonylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(4-methylsulfonylphenyl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(4-methylsulfonylbenzoyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(4-methylsulfonylbenzoyl)amino]pentanoic acid Traditional Name: 2-[(4-mesylbenzoyl)amino]-3-methyl-valeric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-4-9(2)12(14(17)18)15-13(16)10-5-7-11(8-6-10)21(3,19)20/h5-9,12H,4H2,1-3H3,(H,15,16)(H,17,18)