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

Systemtic Name: N4-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-N1-cyclohexyl-benzene-1,4-dicarboxamide Openeye Name: N4-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-N1-cyclohexyl-terephthalamide CAS Name: N4-[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]phenyl]-N1-cyclohexylbenzene-1,4-dicarboxamide IUPAC Name: 4-N-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-1-N-cyclohexylbenzene-1,4-dicarboxamide Traditional Name: N'-[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]-N-cyclohexyl-terephthalamide Formula: C31H34ClN3O6S2 MolecularWeight: 644.20116

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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)NC3CCCCC3)O)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3)O)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C31H34ClN3O6S2/c1-3-28(43(40,41)23-15-13-22(42-2)14-16-23)31(39)34-25-18-27(36)26(17-24(25)32)35-30(38)20-11-9-19(10-12-20)29(37)33-21-7-5-4-6-8-21/h9-18,21,28,36H,3-8H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)