3-cyanopropyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 3-cyanopropyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4S/c17-10-4-5-13-22-16(19)14-8-11-18(12-9-14)23(20,21)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-9,11-13H2