2-[(4-ethylphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(4-ethylphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-ethylbenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-ethylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-ethylbenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-ethylbenzoyl)amino]-4-mesyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

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