N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(diethylsulfamoyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H37N4O5S2+ MolecularWeight: 489.67228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H36N4O5S2/c1-6-24(7-2)31(27,28)18-9-11-19(12-10-18)32(29,30)25-14-8-13-23(15-16-25)17-20(26)22-21(3,4)5/h9-12H,6-8,13-17H2,1-5H3,(H,22,26)/p+1