bis(prop-2-enyl) 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]phenyl]-2-oxidanylidene-ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate

Systemtic Name: bis(prop-2-enyl) 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]phenyl]-2-oxidanylidene-ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate Openeye Name: diallyl 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-[(4-isopropylphenyl)methyl]amino]phenyl]-2-oxo-ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate CAS Name: 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]phenyl]-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]phenyl]-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate Traditional Name: 2-[2-[4-[(3,4-dichlorophenyl)sulfonyl-(4-isopropylbenzyl)amino]phenyl]-2-keto-ethyl]-2-[3-(trifluoromethyl)benzyl]malonic acid diallyl ester Formula: C41H38Cl2F3NO7S MolecularWeight: 816.70913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)CC(CC3=CC(=CC=C3)C(F)(F)F)(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)CC(CC3=CC(=CC=C3)C(F)(F)F)(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C41H38Cl2F3NO7S/c1-5-20-53-38(49)40(39(50)54-21-6-2,24-29-8-7-9-32(22-29)41(44,45)46)25-37(48)31-14-16-33(17-15-31)47(26-28-10-12-30(13-11-28)27(3)4)55(51,52)34-18-19-35(42)36(43)23-34/h5-19,22-23,27H,1-2,20-21,24-26H2,3-4H3