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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCN4C=CN=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCN4C=CN=C4)OC1

InChI

InChI=1S/C21H28N4O5S/c26-21(23-7-1-9-24-12-8-22-16-24)17-5-10-25(11-6-17)31(27,28)18-3-4-19-20(15-18)30-14-2-13-29-19/h3-4,8,12,15-17H,1-2,5-7,9-11,13-14H2,(H,23,26)