3-cyanopropyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-cyanopropyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-cyanopropyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-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=C2C(=O)OCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCCCC#N

InChI

InChI=1S/C16H20N2O4S/c17-10-4-7-13-22-16(19)14-8-2-3-9-15(14)23(20,21)18-11-5-1-6-12-18/h2-3,8-9H,1,4-7,11-13H2