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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H27ClN3O5S+ MolecularWeight: 420.93138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H26ClN3O5S/c1-25-16-5-4-14(12-15(16)18)21(27(2,23)24)13-17(22)19-6-3-7-20-8-10-26-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,22)/p+1