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

Systemtic Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfonylamino)benzamide Openeye Name: 3-(benzenesulfonamido)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-(benzenesulfonamido)-4-methyl-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-(benzenesulfonamido)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-(benzenesulfonamido)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)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)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCOCC2)NS(=O)(=O)C3=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)23-29(26,27)19-6-3-2-4-7-19/h2-4,6-9,16,23H,5,10-15H2,1H3,(H,22,25)/p+1