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

Systemtic Name: N1-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]-N4,N4-diethyl-benzene-1,4-dicarboxamide Openeye Name: N1-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]-N4,N4-diethyl-terephthalamide CAS Name: N1-[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxopropyl]amino]phenyl]-N4,N4-diethylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]-4-N,4-N-diethylbenzene-1,4-dicarboxamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylpropanoylamino]phenyl]-N',N'-diethyl-terephthalamide Formula: C28H30ClN3O6S2 MolecularWeight: 604.1373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C28H30ClN3O6S2/c1-5-32(6-2)28(36)19-9-7-18(8-10-19)27(35)31-24-15-22(29)23(16-25(24)33)30-26(34)17(3)40(37,38)21-13-11-20(39-4)12-14-21/h7-17,33H,5-6H2,1-4H3,(H,30,34)(H,31,35)