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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl

InChI

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