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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridylmethyl)isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=N4)OC1

InChI

InChI=1S/C21H25N3O5S/c25-21(23-15-17-4-1-2-9-22-17)16-7-10-24(11-8-16)30(26,27)18-5-6-19-20(14-18)29-13-3-12-28-19/h1-2,4-6,9,14,16H,3,7-8,10-13,15H2,(H,23,25)