(3,3-dimethyl-2-oxidanylidene-butyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

InChI

InChI=1S/C19H28N2O5S/c1-19(2,3)17(22)13-26-18(23)15-12-14(27(24,25)20(4)5)8-9-16(15)21-10-6-7-11-21/h8-9,12H,6-7,10-11,13H2,1-5H3