2-[4-[4-(tert-butylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[4-(tert-butylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[4-(tert-butylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[4-(tert-butylsulfamoyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[4-(tert-butylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[4-(tert-butylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C21H35N4O4S+ MolecularWeight: 439.592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C21H34N4O4S/c1-6-24(7-2)19(26)16-23-12-14-25(15-13-23)20(27)17-8-10-18(11-9-17)30(28,29)22-21(3,4)5/h8-11,22H,6-7,12-16H2,1-5H3/p+1