3-oxidanylidenebutan-2-yl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-10(17)11(2)21-14(18)13-8-12(9-15(13)3)22(19,20)16-6-4-5-7-16/h8-9,11H,4-7H2,1-3H3