1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(6-imidazol-1-yl-3-pyridyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[6-(1-imidazolyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(6-imidazol-1-yl-3-pyridyl)isonipecotamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CN=C(C=C4)N5C=CN=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CN=C(C=C4)N5C=CN=C5)OC1

InChI

InChI=1S/C23H25N5O5S/c29-23(26-18-2-5-22(25-15-18)27-11-8-24-16-27)17-6-9-28(10-7-17)34(30,31)19-3-4-20-21(14-19)33-13-1-12-32-20/h2-5,8,11,14-17H,1,6-7,9-10,12-13H2,(H,26,29)