[4-[4-[1-[[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]amino]-2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]sulfonylphenyl] benzoate

Systemtic Name: [4-[4-[1-[[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]amino]-2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]sulfonylphenyl] benzoate Openeye Name: [4-[4-[1-[[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]phenyl]carbamoyl]-1-chloro-3,3-dimethyl-2-oxo-butoxy]phenyl]sulfonylphenyl] benzoate CAS Name: benzoic acid [4-[4-[1-[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]anilino]-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]sulfonylphenyl] ester IUPAC Name: [4-[4-[1-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]anilino]-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]sulfonylphenyl] benzoate Traditional Name: benzoic acid [4-[4-[1-chloro-1-[[3-[4-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]carbamoyl]-2-keto-3,3-dimethyl-butoxy]phenyl]sulfonylphenyl] ester Formula: C52H59ClN2O9S MolecularWeight: 923.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)Cl)C(C)(C)CC

InChI

InChI=1S/C52H59ClN2O9S/c1-10-50(6,7)36-22-31-44(43(33-36)51(8,9)11-2)62-32-16-21-45(56)54-37-19-15-20-38(34-37)55-48(59)52(53,47(58)49(3,4)5)64-40-25-29-42(30-26-40)65(60,61)41-27-23-39(24-28-41)63-46(57)35-17-13-12-14-18-35/h12-15,17-20,22-31,33-34H,10-11,16,21,32H2,1-9H3,(H,54,56)(H,55,59)