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

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(4-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(4-chloro-N-mesyl-2-methyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O4S/c1-14-12-15(18)4-5-16(14)21(26(2,23)24)13-17(22)19-6-3-7-20-8-10-25-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,22)/p+1