(2-cyanophenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-cyanophenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-cyanophenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-cyanophenyl) ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3C#N)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C19H17ClN2O4S/c20-16-9-8-14(19(23)26-17-7-3-2-6-15(17)13-21)12-18(16)27(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2