2-[(2-ethylsulfonylphenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-ethylsulfonylphenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-ethylsulfonylbenzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2-ethylsulfonylphenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-ethylsulfonylbenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-esylbenzoyl)amino]-3-methyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC(C(C)C)C(=O)O

InChI

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