N-(2-methoxyethylcarbamoyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxyethylcarbamoyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(2-methoxyethylcarbamoyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[(2-methoxyethylamino)-oxomethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-(2-methoxyethylcarbamoyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-ium-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide Formula: C12H25N4O5S+ MolecularWeight: 337.4157

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C

Isomeric SMILES

COCCNC(=O)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C12H24N4O5S/c1-21-9-4-13-12(18)14-11(17)10-15-5-3-6-16(8-7-15)22(2,19)20/h3-10H2,1-2H3,(H2,13,14,17,18)/p+1