cyanomethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid cyanomethyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O4S/c14-12-4-3-10(9-11(12)13(17)20-8-5-15)21(18,19)16-6-1-2-7-16/h3-4,9H,1-2,6-8H2