(5-methanoyl-1-propanoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methanoyl-1-propanoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-formyl-1-propanoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-formyl-1-(1-oxopropyl)-3-pyrrolidinyl] ester IUPAC Name: (5-formyl-1-propanoylpyrrolidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-formyl-1-propionyl-pyrrolidin-3-yl) ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(CC1C=O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)N1CC(CC1C=O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H19NO5S/c1-3-15(18)16-9-13(8-12(16)10-17)21-22(19,20)14-6-4-11(2)5-7-14/h4-7,10,12-13H,3,8-9H2,1-2H3