N1-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide

Systemtic Name: N1-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide Openeye Name: N1-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-N4,N4-dimethyl-terephthalamide CAS Name: N1-[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]phenyl]-N4,N4-dimethylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]-N',N'-dimethyl-terephthalamide Formula: C27H28ClN3O6S2 MolecularWeight: 590.11072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)N(C)C)O)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)N(C)C)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H28ClN3O6S2/c1-5-24(39(36,37)19-12-10-18(38-4)11-13-19)26(34)29-21-15-23(32)22(14-20(21)28)30-25(33)16-6-8-17(9-7-16)27(35)31(2)3/h6-15,24,32H,5H2,1-4H3,(H,29,34)(H,30,33)