1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]isonipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)OC1

InChI

InChI=1S/C22H25N3O6S/c23-21(26)15-7-9-25(10-8-15)22(27)16-3-1-4-17(13-16)24-32(28,29)18-5-6-19-20(14-18)31-12-2-11-30-19/h1,3-6,13-15,24H,2,7-12H2,(H2,23,26)