N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C20H35N4O6S2+ MolecularWeight: 491.6451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)OCC

InChI

InChI=1S/C20H34N4O6S2/c1-5-23(6-2)32(28,29)19-15-17(9-10-18(19)30-7-3)21-20(25)16-22-11-8-12-24(14-13-22)31(4,26)27/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,21,25)/p+1