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

Systemtic Name: 5-[5-(3-aminophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(3-aminophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(3-aminophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(3-aminophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(3-aminophenyl)pent-4-ynyl]-5-(4-methoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=CC(=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=CC(=CC=C3)N

InChI

InChI=1S/C21H20N2O5S2/c1-28-17-9-11-18(12-10-17)30(26,27)21(19(24)23-20(25)29-21)13-4-2-3-6-15-7-5-8-16(22)14-15/h5,7-12,14H,2,4,13,22H2,1H3,(H,23,24,25)