(3,3-dimethyl-2-oxidanylidene-butyl) 4-methoxy-3-[methyl(2-pyridin-3-ylethyl)sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methoxy-3-[methyl(2-pyridin-3-ylethyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methoxy-3-[methyl-[2-(3-pyridyl)ethyl]sulfamoyl]benzoate CAS Name: 4-methoxy-3-[methyl-[2-(3-pyridinyl)ethyl]sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methoxy-3-[methyl(2-pyridin-3-ylethyl)sulfamoyl]benzoate Traditional Name: 4-methoxy-3-[methyl-[2-(3-pyridyl)ethyl]sulfamoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CCC2=CN=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-22(2,3)20(25)15-30-21(26)17-8-9-18(29-5)19(13-17)31(27,28)24(4)12-10-16-7-6-11-23-14-16/h6-9,11,13-14H,10,12,15H2,1-5H3