2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(3,4-dichlorobenzyl)-mesyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H26Cl2N3O4S+ MolecularWeight: 439.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25Cl2N3O4S/c1-27(24,25)22(12-14-3-4-15(18)16(19)11-14)13-17(23)20-5-2-6-21-7-9-26-10-8-21/h3-4,11H,2,5-10,12-13H2,1H3,(H,20,23)/p+1