[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H22ClNO6S/c1-13(2)11-27-15-6-4-14(5-7-15)20(24)28-12-19(23)22-18-10-16(29(3,25)26)8-9-17(18)21/h4-10,13H,11-12H2,1-3H3,(H,22,23)