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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C#CCCCC2C(=O)N(C(=O)S2)S(=O)(=O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C#CCCCC2C(=O)N(C(=O)S2)S(=O)(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

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