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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-quinolin-5-yl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-quinolyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-quinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-quinolin-5-ylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-quinolyl)isonipecotamide Formula: C24H25N3O5S MolecularWeight: 467.5374

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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=CC5=C4C=CC=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC5=C4C=CC=N5)OC1

InChI

InChI=1S/C24H25N3O5S/c28-24(26-21-6-1-5-20-19(21)4-2-11-25-20)17-9-12-27(13-10-17)33(29,30)18-7-8-22-23(16-18)32-15-3-14-31-22/h1-2,4-8,11,16-17H,3,9-10,12-15H2,(H,26,28)