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

Systemtic Name: 5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C27H22N2O7S2 MolecularWeight: 550.60278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O7S2/c1-19-18-21(29(32)33)12-11-20(19)8-4-3-7-17-27(25(30)28-26(31)37-27)38(34,35)24-15-13-23(14-16-24)36-22-9-5-2-6-10-22/h2,5-6,9-16,18H,3,7,17H2,1H3,(H,28,30,31)