3-cyanopropyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid 3-cyanopropyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCCCC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCCCC#N)OC1

InChI

InChI=1S/C19H24N2O6S/c20-8-1-2-11-27-19(22)15-6-9-21(10-7-15)28(23,24)16-4-5-17-18(14-16)26-13-3-12-25-17/h4-5,14-15H,1-3,6-7,9-13H2