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

Systemtic Name: 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C25H26FN4O4S+ MolecularWeight: 497.561743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H25FN4O4S/c26-21-11-5-7-13-23(21)35(33,34)30-16-14-29(15-17-30)18-24(31)28-22-12-6-4-10-20(22)25(32)27-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,32)(H,28,31)/p+1