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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7S2/c1-31-17-6-8-18(9-7-17)33(29,30)21(19(25)23-20(26)32-21)10-4-2-3-5-14-11-15(22)13-16(12-14)24(27)28/h6-9,11-13H,2,4,10H2,1H3,(H,23,25,26)