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

Systemtic Name: 5-[5-(4-bromanyl-2-methyl-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(4-bromo-2-methyl-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(4-bromo-2-methylphenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(4-bromo-2-methylphenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(4-bromo-2-methyl-phenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C22H20BrNO5S2 MolecularWeight: 522.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H20BrNO5S2/c1-15-14-17(23)8-7-16(15)6-4-3-5-13-22(20(25)24-21(26)30-22)31(27,28)19-11-9-18(29-2)10-12-19/h7-12,14H,3,5,13H2,1-2H3,(H,24,25,26)