2-[(3-cyanophenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-cyanobenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-cyanobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-cyanobenzoyl)amino]-4-mesyl-butyric acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H14N2O5S/c1-21(19,20)6-5-11(13(17)18)15-12(16)10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,15,16)(H,17,18)