2-chloranyl-4,4-dimethyl-3-oxidanylidene-5-[2-(3-pentadecylphenoxy)butanoylamino]-N-phenyl-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide

Systemtic Name: 2-chloranyl-4,4-dimethyl-3-oxidanylidene-5-[2-(3-pentadecylphenoxy)butanoylamino]-N-phenyl-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfonylphenoxy]-2-chloro-4,4-dimethyl-3-oxo-5-[2-(3-pentadecylphenoxy)butanoylamino]-N-phenyl-pentanamide CAS Name: 2-chloro-4,4-dimethyl-3-oxo-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]-N-phenyl-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide IUPAC Name: 2-chloro-4,4-dimethyl-3-oxo-5-[2-(3-pentadecylphenoxy)butanoylamino]-N-phenyl-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide Traditional Name: 2-[4-(4-benzoxyphenyl)sulfonylphenoxy]-2-chloro-3-keto-4,4-dimethyl-5-[2-(3-pentadecylphenoxy)butanoylamino]-N-phenyl-valeramide Formula: C57H71ClN2O8S MolecularWeight: 979.70024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C57H71ClN2O8S/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-26-44-29-25-32-49(41-44)67-52(6-2)53(61)59-43-56(3,4)54(62)57(58,55(63)60-46-30-23-19-24-31-46)68-48-35-39-51(40-36-48)69(64,65)50-37-33-47(34-38-50)66-42-45-27-21-18-22-28-45/h18-19,21-25,27-41,52H,5-17,20,26,42-43H2,1-4H3,(H,59,61)(H,60,63)