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

Systemtic Name: 5-[5-(2-methoxy-4-nitro-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(2-methoxy-4-nitro-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(2-methoxy-4-nitrophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(2-methoxy-4-nitrophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(2-methoxy-4-nitro-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C22H20N2O8S2 MolecularWeight: 504.5328

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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=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O8S2/c1-31-17-9-11-18(12-10-17)34(29,30)22(20(25)23-21(26)33-22)13-5-3-4-6-15-7-8-16(24(27)28)14-19(15)32-2/h7-12,14H,3,5,13H2,1-2H3,(H,23,25,26)