3-[4-(3-azanyl-3-oxidanylidene-propyl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(3-azanyl-3-oxidanylidene-propyl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-(3-amino-3-oxo-propyl)sulfonylphenyl]propanoic acid CAS Name: 3-[4-(3-amino-3-oxopropyl)sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-(3-amino-3-oxopropyl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(3-amino-3-keto-propyl)sulfonylphenyl]propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CCC(=O)N

InChI

InChI=1S/C12H15NO5S/c13-11(14)7-8-19(17,18)10-4-1-9(2-5-10)3-6-12(15)16/h1-2,4-5H,3,6-8H2,(H2,13,14)(H,15,16)