2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperazin-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperazin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperazin-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-oxomethyl]-1-piperazinyl]-N-methylacetamide IUPAC Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperazin-1-yl]-N-methylacetamide Traditional Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperazino]-N-methyl-acetamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N4O6S/c1-24-22(28)16-26-9-11-27(12-10-26)23(29)17-3-5-18(6-4-17)25-34(30,31)19-7-8-20-21(15-19)33-14-2-13-32-20/h3-8,15,25H,2,9-14,16H2,1H3,(H,24,28)