3-fluoranyl-N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-fluoro-N-[2-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-2-oxo-ethyl]benzamide CAS Name: 3-fluoro-N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]benzamide IUPAC Name: 3-fluoro-N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]benzamide Traditional Name: 3-fluoro-N-[2-keto-2-[2-(4-mesyl-2-nitro-anilino)ethylamino]ethyl]benzamide Formula: C18H19FN4O6S MolecularWeight: 438.430063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN4O6S/c1-30(28,29)14-5-6-15(16(10-14)23(26)27)20-7-8-21-17(24)11-22-18(25)12-3-2-4-13(19)9-12/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,24)(H,22,25)