(4-cyanophenyl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (4-cyanobenzyl) ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17ClN2O4S/c20-18-8-7-16(27(24,25)22-9-1-2-10-22)11-17(18)19(23)26-13-15-5-3-14(12-21)4-6-15/h3-8,11H,1-2,9-10,13H2