5-[3-[5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynyl]-4-methoxy-phenyl]sulfonyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[3-[5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynyl]-4-methoxy-phenyl]sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[3-[5-(3-fluoro-5-nitro-phenyl)pent-4-ynyl]-4-methoxy-phenyl]sulfonylthiazolidine-2,4-dione CAS Name: 5-[3-[5-(3-fluoro-5-nitrophenyl)pent-4-ynyl]-4-methoxyphenyl]sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[3-[5-(3-fluoro-5-nitrophenyl)pent-4-ynyl]-4-methoxyphenyl]sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[3-[5-(3-fluoro-5-nitro-phenyl)pent-4-ynyl]-4-methoxy-phenyl]sulfonylthiazolidine-2,4-quinone Formula: C21H17FN2O7S2 MolecularWeight: 492.497283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2C(=O)NC(=O)S2)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2C(=O)NC(=O)S2)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7S2/c1-31-18-8-7-17(33(29,30)20-19(25)23-21(26)32-20)11-14(18)6-4-2-3-5-13-9-15(22)12-16(10-13)24(27)28/h7-12,20H,2,4,6H2,1H3,(H,23,25,26)