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

Systemtic Name: pyridin-2-ylmethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C17H17ClN2O4S/c18-16-7-6-14(25(22,23)20-9-3-4-10-20)11-15(16)17(21)24-12-13-5-1-2-8-19-13/h1-2,5-8,11H,3-4,9-10,12H2