5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[11-(4-chlorophenyl)undec-10-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C27H30ClNO5S2 MolecularWeight: 548.1138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCCCCCCCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCCCCCCCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H30ClNO5S2/c1-34-23-16-18-24(19-17-23)36(32,33)27(25(30)29-26(31)35-27)20-10-8-6-4-2-3-5-7-9-11-21-12-14-22(28)15-13-21/h12-19H,2-8,10,20H2,1H3,(H,29,30,31)