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

Systemtic Name: 2-methyl-3-oxidanylidene-3-[(2-pyrrol-1-ylsulfonylphenyl)amino]propanoic acid Openeye Name: 2-methyl-3-oxo-3-(2-pyrrol-1-ylsulfonylanilino)propanoic acid CAS Name: 2-methyl-3-oxo-3-[2-(1-pyrrolylsulfonyl)anilino]propanoic acid IUPAC Name: 2-methyl-3-oxo-3-(2-pyrrol-1-ylsulfonylanilino)propanoic acid Traditional Name: 3-keto-2-methyl-3-(2-pyrrol-1-ylsulfonylanilino)propionic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)N2C=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)N2C=CC=C2)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-10(14(18)19)13(17)15-11-6-2-3-7-12(11)22(20,21)16-8-4-5-9-16/h2-10H,1H3,(H,15,17)(H,18,19)