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

Systemtic Name: 3-oxidanylidene-3-[(2-pyrrol-1-ylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-oxo-3-(2-pyrrol-1-ylsulfonylanilino)propanoic acid CAS Name: 3-oxo-3-[2-(1-pyrrolylsulfonyl)anilino]propanoic acid IUPAC Name: 3-oxo-3-(2-pyrrol-1-ylsulfonylanilino)propanoic acid Traditional Name: 3-keto-3-(2-pyrrol-1-ylsulfonylanilino)propionic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CC(=O)O)S(=O)(=O)N2C=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CC(=O)O)S(=O)(=O)N2C=CC=C2

InChI

InChI=1S/C13H12N2O5S/c16-12(9-13(17)18)14-10-5-1-2-6-11(10)21(19,20)15-7-3-4-8-15/h1-8H,9H2,(H,14,16)(H,17,18)