N-[5-chloranyl-2-oxidanyl-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-2-(methylsulfonylamino)benzamide

Systemtic Name: N-[5-chloranyl-2-oxidanyl-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-2-(methylsulfonylamino)benzamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-2-(methanesulfonamido)benzamide CAS Name: N-[5-chloro-2-hydroxy-4-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-2-(methanesulfonamido)benzamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-2-(methanesulfonamido)benzamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-2-(methanesulfonamido)benzamide Formula: C39H54ClN3O6S MolecularWeight: 728.38056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3NS(=O)(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3NS(=O)(=O)C)O

InChI

InChI=1S/C39H54ClN3O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-29-22-20-23-30(26-29)49-37(5-2)39(46)41-34-28-36(44)35(27-32(34)40)42-38(45)31-24-18-19-25-33(31)43-50(3,47)48/h18-20,22-28,37,43-44H,4-17,21H2,1-3H3,(H,41,46)(H,42,45)