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

Systemtic Name: 5-(4-methoxyphenyl)sulfonyl-5-[5-(3-nitrophenyl)pent-4-ynyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-(4-methoxyphenyl)sulfonyl-5-[5-(3-nitrophenyl)pent-4-ynyl]thiazolidine-2,4-dione CAS Name: 5-(4-methoxyphenyl)sulfonyl-5-[5-(3-nitrophenyl)pent-4-ynyl]thiazolidine-2,4-dione IUPAC Name: 5-(4-methoxyphenyl)sulfonyl-5-[5-(3-nitrophenyl)pent-4-ynyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-methoxyphenyl)sulfonyl-5-[5-(3-nitrophenyl)pent-4-ynyl]thiazolidine-2,4-quinone Formula: C21H18N2O7S2 MolecularWeight: 474.50682

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7S2/c1-30-17-9-11-18(12-10-17)32(28,29)21(19(24)22-20(25)31-21)13-4-2-3-6-15-7-5-8-16(14-15)23(26)27/h5,7-12,14H,2,4,13H2,1H3,(H,22,24,25)