4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[1-chloranyl-2-[[4-(2,2-dimethylpropanoyl)phenyl]amino]-2-oxidanylidene-1-[2-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethyl]butanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[1-chloranyl-2-[[4-(2,2-dimethylpropanoyl)phenyl]amino]-2-oxidanylidene-1-[2-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethyl]butanamide Openeye Name: N-[1-[2-(4-benzyloxyphenyl)sulfonylphenoxy]-1-chloro-2-[4-(2,2-dimethylpropanoyl)anilino]-2-oxo-ethyl]-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[1-chloro-2-[4-(2,2-dimethyl-1-oxopropyl)anilino]-2-oxo-1-[2-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethyl]butanamide IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[1-chloro-2-[4-(2,2-dimethylpropanoyl)anilino]-2-oxo-1-[2-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethyl]butanamide Traditional Name: N-[1-[2-(4-benzoxyphenyl)sulfonylphenoxy]-1-chloro-2-keto-2-(4-pivaloylanilino)ethyl]-4-(2,4-ditert-amylphenoxy)butyramide Formula: C52H61ClN2O8S MolecularWeight: 909.56734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC(C(=O)NC2=CC=C(C=C2)C(=O)C(C)(C)C)(OC3=CC=CC=C3S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC(C(=O)NC2=CC=C(C=C2)C(=O)C(C)(C)C)(OC3=CC=CC=C3S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl)C(C)(C)CC

InChI

InChI=1S/C52H61ClN2O8S/c1-10-50(6,7)38-25-32-43(42(34-38)51(8,9)11-2)61-33-17-22-46(56)55-52(53,48(58)54-39-26-23-37(24-27-39)47(57)49(3,4)5)63-44-20-15-16-21-45(44)64(59,60)41-30-28-40(29-31-41)62-35-36-18-13-12-14-19-36/h12-16,18-21,23-32,34H,10-11,17,22,33,35H2,1-9H3,(H,54,58)(H,55,56)