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

Systemtic Name: cyanomethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c17-5-8-24-16(19)12-3-6-18(7-4-12)25(20,21)13-1-2-14-15(11-13)23-10-9-22-14/h1-2,11-12H,3-4,6-10H2