3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-(2-amino-1-methyl-2-oxo-ethyl)sulfonylphenyl]propanoic acid CAS Name: 3-[4-(1-amino-1-oxopropan-2-yl)sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-(1-amino-1-oxopropan-2-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(2-amino-2-keto-1-methyl-ethyl)sulfonylphenyl]propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(C(=O)N)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8(12(13)16)19(17,18)10-5-2-9(3-6-10)4-7-11(14)15/h2-3,5-6,8H,4,7H2,1H3,(H2,13,16)(H,14,15)