2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C17H28N3O6S+ MolecularWeight: 402.48572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O6S/c1-24-15-5-4-14(12-16(15)25-2)20(27(3,22)23)13-17(21)18-6-7-19-8-10-26-11-9-19/h4-5,12H,6-11,13H2,1-3H3,(H,18,21)/p+1