(3,3-dimethyl-2-oxidanylidene-butyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H24N2O5S MolecularWeight: 356.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H24N2O5S/c1-16(2,3)14(19)11-23-15(20)13-9-12(10-17(13)4)24(21,22)18-7-5-6-8-18/h9-10H,5-8,11H2,1-4H3