4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfamoyl)benzamide

Systemtic Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfamoyl)benzamide Openeye Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfamoyl)benzamide CAS Name: 4-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylsulfamoyl)benzamide IUPAC Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfamoyl)benzamide Traditional Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfamoyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17-8-9-18(21(25)22-10-5-11-24-12-14-28-15-13-24)16-20(17)29(26,27)23-19-6-3-2-4-7-19/h2-4,6-9,16,23H,5,10-15H2,1H3,(H,22,25)/p+1