pyridin-2-ylmethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C18H19ClN2O4S/c19-17-8-7-15(26(23,24)21-10-4-1-5-11-21)12-16(17)18(22)25-13-14-6-2-3-9-20-14/h2-3,6-9,12H,1,4-5,10-11,13H2