3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-(brosylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C21H26BrN3O4S/c1-21(2,25-10-12-29-13-11-25)15-23-20(26)16-4-3-5-18(14-16)24-30(27,28)19-8-6-17(22)7-9-19/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)/p+1