4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[(2-chlorobenzyl)-mesyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H28ClN3O4S/c1-31(28,29)26(17-19-5-2-3-6-21(19)23)20-9-7-18(8-10-20)22(27)24-11-4-12-25-13-15-30-16-14-25/h2-3,5-10H,4,11-17H2,1H3,(H,24,27)/p+1