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

Systemtic Name: N-[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-4-cyano-benzamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-4-cyano-benzamide CAS Name: N-[5-chloro-2-hydroxy-4-[[2-(3-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-4-cyanobenzamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-4-cyano-benzamide Formula: C25H22ClN3O5S MolecularWeight: 511.97728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O5S/c1-3-23(35(33,34)18-6-4-5-15(2)11-18)25(32)28-20-13-22(30)21(12-19(20)26)29-24(31)17-9-7-16(14-27)8-10-17/h4-13,23,30H,3H2,1-2H3,(H,28,32)(H,29,31)