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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H32N2O5S/c1-6-23(7-2)29(26,27)16-10-11-18(22-12-8-9-13-22)17(14-16)20(25)28-15-19(24)21(3,4)5/h10-11,14H,6-9,12-13,15H2,1-5H3