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

Systemtic Name: 5-[5-(3-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(3-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(3-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(3-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(3-nitrophenyl)pent-4-ynyl]-5-(4-phenoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C26H20N2O7S2 MolecularWeight: 536.5762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(C(=O)NC(=O)S3)CCCC#CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(C(=O)NC(=O)S3)CCCC#CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7S2/c29-24-26(36-25(30)27-24,17-6-2-3-8-19-9-7-10-20(18-19)28(31)32)37(33,34)23-15-13-22(14-16-23)35-21-11-4-1-5-12-21/h1,4-5,7,9-16,18H,2,6,17H2,(H,27,29,30)