3-oxidanylidene-3-[(2-pyrrolidin-1-ylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[(2-pyrrolidin-1-ylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-oxo-3-(2-pyrrolidin-1-ylsulfonylanilino)propanoic acid CAS Name: 3-oxo-3-[2-(1-pyrrolidinylsulfonyl)anilino]propanoic acid IUPAC Name: 3-oxo-3-(2-pyrrolidin-1-ylsulfonylanilino)propanoic acid Traditional Name: 3-keto-3-(2-pyrrolidinosulfonylanilino)propionic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC=C2NC(=O)CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC=C2NC(=O)CC(=O)O

InChI

InChI=1S/C13H16N2O5S/c16-12(9-13(17)18)14-10-5-1-2-6-11(10)21(19,20)15-7-3-4-8-15/h1-2,5-6H,3-4,7-9H2,(H,14,16)(H,17,18)