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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C22H25N3O6S/c23-21(26)16-3-1-10-25(14-16)22(27)15-4-6-17(7-5-15)24-32(28,29)18-8-9-19-20(13-18)31-12-2-11-30-19/h4-9,13,16,24H,1-3,10-12,14H2,(H2,23,26)