pyridin-3-yl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-3-yl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-pyridyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 3-pyridyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C17H17ClN2O4S/c18-16-7-6-14(25(22,23)20-9-2-1-3-10-20)11-15(16)17(21)24-13-5-4-8-19-12-13/h4-8,11-12H,1-3,9-10H2