[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C24H28ClNO6S MolecularWeight: 494.00022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C24H28ClNO6S/c1-3-4-5-6-17-7-9-18(10-8-17)22(27)13-14-24(29)32-16-23(28)26-21-15-19(33(2,30)31)11-12-20(21)25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,28)