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

Systemtic Name: 5-[3-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-4-phenoxy-phenyl]sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[3-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-4-phenoxy-phenyl]sulfonylthiazolidine-2,4-dione CAS Name: 5-[3-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]-4-phenoxyphenyl]sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[3-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]-4-phenoxyphenyl]sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[3-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-4-phenoxy-phenyl]sulfonylthiazolidine-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(C=CC(=C2)S(=O)(=O)C3C(=O)NC(=O)S3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C#CCCCC2=C(C=CC(=C2)S(=O)(=O)C3C(=O)NC(=O)S3)OC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O7S2/c1-18-16-21(29(32)33)13-12-19(18)8-4-2-5-9-20-17-23(38(34,35)26-25(30)28-27(31)37-26)14-15-24(20)36-22-10-6-3-7-11-22/h3,6-7,10-17,26H,2,5,9H2,1H3,(H,28,30,31)