1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridyl)isonipecotamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)OC1

InChI

InChI=1S/C20H23N3O5S/c24-20(22-19-4-1-2-9-21-19)15-7-10-23(11-8-15)29(25,26)16-5-6-17-18(14-16)28-13-3-12-27-17/h1-2,4-6,9,14-15H,3,7-8,10-13H2,(H,21,22,24)