4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C24H32N3O6S+ MolecularWeight: 490.59238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

InChI

InChI=1S/C24H31N3O6S/c1-24(2,27-10-14-31-15-11-27)17-25-23(28)18-4-6-19(7-5-18)26-34(29,30)20-8-9-21-22(16-20)33-13-3-12-32-21/h4-9,16,26H,3,10-15,17H2,1-2H3,(H,25,28)/p+1