4-methylsulfonyl-2-(phenylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(phenylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(phenylcarbamoylamino)butanoic acid CAS Name: 2-[[anilino(oxo)methyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 4-methylsulfonyl-2-(phenylcarbamoylamino)butanoic acid Traditional Name: 4-mesyl-2-(phenylcarbamoylamino)butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H16N2O5S/c1-20(18,19)8-7-10(11(15)16)14-12(17)13-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,16)(H2,13,14,17)