4-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O4S/c1-24(2)21(28)16-7-9-17(10-8-16)23-20(27)15-25-11-13-26(14-12-25)31(29,30)19-6-4-3-5-18(19)22/h3-10H,11-15H2,1-2H3,(H,23,27)/p+1