3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfonylpropanoic acid Openeye Name: 3-[2-(benzylamino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[2-oxo-2-[(phenylmethyl)amino]ethyl]sulfonylpropanoic acid IUPAC Name: 3-[2-(benzylamino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: 3-[2-(benzylamino)-2-keto-ethyl]sulfonylpropionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO5S/c14-11(9-19(17,18)7-6-12(15)16)13-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)