3-cyanopropyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-cyanopropyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-cyanopropyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid 3-cyanopropyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c17-9-2-5-12-22-16(19)14-7-6-8-15(13-14)23(20,21)18-10-3-1-4-11-18/h6-8,13H,1-5,10-12H2