cyanomethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-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=C(C=CC(=C2)C(=O)OCC#N)Cl

Isomeric SMILES

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

InChI

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