N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C23H28N3O6S+ MolecularWeight: 474.54992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27N3O6S/c1-17(27)18-3-6-20(7-4-18)33(29,30)26-11-9-25(10-12-26)16-23(28)24-19-5-8-21-22(15-19)32-14-2-13-31-21/h3-8,15H,2,9-14,16H2,1H3,(H,24,28)/p+1