3-chloranyl-N-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-4-cyano-benzamide

Systemtic Name: 3-chloranyl-N-[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-4-cyano-benzamide Openeye Name: 3-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-4-cyano-benzamide CAS Name: 3-chloro-N-[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]phenyl]-4-cyanobenzamide IUPAC Name: 3-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide Traditional Name: 3-chloro-N-[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]-4-cyano-benzamide Formula: C25H21Cl2N3O5S2 MolecularWeight: 578.48734

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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#N)Cl)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#N)Cl)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H21Cl2N3O5S2/c1-3-23(37(34,35)17-8-6-16(36-2)7-9-17)25(33)29-20-12-22(31)21(11-19(20)27)30-24(32)14-4-5-15(13-28)18(26)10-14/h4-12,23,31H,3H2,1-2H3,(H,29,33)(H,30,32)