N-[4-[[2-(4-fluorophenyl)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[2-(4-fluorophenyl)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[2-(4-fluorophenyl)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C21H17FN4O6S MolecularWeight: 472.446283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN4O6S/c22-16-8-4-14(5-9-16)12-20(27)23-24-21(28)15-6-10-17(11-7-15)25-33(31,32)19-3-1-2-18(13-19)26(29)30/h1-11,13,25H,12H2,(H,23,27)(H,24,28)