3-cyanopropyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C16H19ClN2O4S MolecularWeight: 370.85106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O4S/c17-15-7-6-13(24(21,22)19-9-3-1-4-10-19)12-14(15)16(20)23-11-5-2-8-18/h6-7,12H,1-5,9-11H2