4-[[methylsulfonyl(phenyl)amino]methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-[[methylsulfonyl(phenyl)amino]methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-[(N-methylsulfonylanilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(N-methylsulfonylanilino)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(N-methylsulfonylanilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(N-mesylanilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCOCC2)C3=CC=CC=C3

InChI

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