3-cyanopropyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C16H19FN2O4S MolecularWeight: 354.396463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O4S/c17-14-7-6-13(16(20)23-11-5-2-8-18)12-15(14)24(21,22)19-9-3-1-4-10-19/h6-7,12H,1-5,9-11H2