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

Systemtic Name: N,N-diethyl-2-[4-[4-(prop-2-ynylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(prop-2-ynylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(prop-2-ynylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(propargylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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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)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-4-11-21-29(27,28)18-9-7-17(8-10-18)20(26)24-14-12-22(13-15-24)16-19(25)23(5-2)6-3/h1,7-10,21H,5-6,11-16H2,2-3H3/p+1