3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid 3-cyanopropyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O6S/c19-7-1-2-10-26-18(21)14-5-8-20(9-6-14)27(22,23)15-3-4-16-17(13-15)25-12-11-24-16/h3-4,13-14H,1-2,5-6,8-12H2