2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)-4-[1-(phenylsulfonyl)pyrrol-2-yl]butane-1,4-dione

Systemtic Name: 2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)-4-[1-(phenylsulfonyl)pyrrol-2-yl]butane-1,4-dione Openeye Name: 4-[1-(benzenesulfonyl)pyrrol-2-yl]-2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 4-[1-(benzenesulfonyl)-2-pyrrolyl]-2-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 4-[1-(benzenesulfonyl)pyrrol-2-yl]-2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 4-(1-besylpyrrol-2-yl)-2-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]butane-1,4-dione Formula: C28H25NO5S2 MolecularWeight: 519.6318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H25NO5S2/c1-34-22-14-10-20(11-15-22)25(28(31)21-12-16-23(35-2)17-13-21)19-27(30)26-9-6-18-29(26)36(32,33)24-7-4-3-5-8-24/h3-18,25H,19H2,1-2H3