1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCSCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCSCC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H30N2O5S2/c27-24(25-11-16-32-18-19-5-2-1-3-6-19)20-9-12-26(13-10-20)33(28,29)21-7-8-22-23(17-21)31-15-4-14-30-22/h1-3,5-8,17,20H,4,9-16,18H2,(H,25,27)