4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)C

InChI

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