4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O4S/c22-19-6-8-20(9-7-19)30(27,28)24-16-17-2-4-18(5-3-17)21(26)23-10-1-11-25-12-14-29-15-13-25/h2-9,24H,1,10-16H2,(H,23,26)/p+1