4-[[4-[(4-fluorosulfonylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(4-fluorosulfonylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(4-fluorosulfonylbenzoyl)amino]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[(4-fluorosulfonylphenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4-fluorosulfonylbenzoyl)amino]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(4-fluorosulfonylbenzoyl)amino]anilino]-4-keto-butyric acid Formula: C17H15FN2O6S MolecularWeight: 394.374203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)O)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)O)S(=O)(=O)F

InChI

InChI=1S/C17H15FN2O6S/c18-27(25,26)14-7-1-11(2-8-14)17(24)20-13-5-3-12(4-6-13)19-15(21)9-10-16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,24)(H,22,23)