4-[[4-[4-(2-iodanylpropanoylamino)phenyl]sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(2-iodanylpropanoylamino)phenyl]sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(2-iodopropanoylamino)phenyl]sulfonylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-[(2-iodo-1-oxopropyl)amino]phenyl]sulfonylanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(2-iodopropanoylamino)phenyl]sulfonylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(2-iodopropanoylamino)phenyl]sulfonylanilino]-4-keto-butyric acid Formula: C19H19IN2O6S MolecularWeight: 530.33343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)I

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)I

InChI

InChI=1S/C19H19IN2O6S/c1-12(20)19(26)22-14-4-8-16(9-5-14)29(27,28)15-6-2-13(3-7-15)21-17(23)10-11-18(24)25/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,26)(H,24,25)