1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]isonipecotamide Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)N)OC1

InChI

InChI=1S/C17H22N2O4S/c18-17(21)12-4-6-19(7-5-12)16(20)11-24-13-2-3-14-15(10-13)23-9-1-8-22-14/h2-3,10,12H,1,4-9,11H2,(H2,18,21)