4-methylsulfonyl-2-(phenoxycarbonylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(phenoxycarbonylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(phenoxycarbonylamino)butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo(phenoxy)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-(phenoxycarbonylamino)butanoic acid Traditional Name: 2-(carbophenoxyamino)-4-mesyl-butyric acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C12H15NO6S/c1-20(17,18)8-7-10(11(14)15)13-12(16)19-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,14,15)