cyanomethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: cyanomethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: cyanomethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid cyanomethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC#N

InChI

InChI=1S/C13H14N2O4S/c14-6-9-19-13(16)11-4-3-5-12(10-11)20(17,18)15-7-1-2-8-15/h3-5,10H,1-2,7-9H2