4-(ethylsulfamoyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(ethylsulfamoyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(ethylsulfamoyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(ethylsulfamoyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(ethylsulfamoyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(ethylsulfamoyl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-2-23-29(26,27)20-9-7-17(8-10-20)21(25)22-15-18-5-3-4-6-19(18)16-24-11-13-28-14-12-24/h3-10,23H,2,11-16H2,1H3,(H,22,25)/p+1