2-[4-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CC)CC

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CC)CC

InChI

InChI=1S/C21H34N4O4S/c1-5-17(4)22-30(28,29)19-10-8-18(9-11-19)21(27)25-14-12-23(13-15-25)16-20(26)24(6-2)7-3/h8-11,17,22H,5-7,12-16H2,1-4H3/p+1/t17-/m0/s1