N-(3-fluorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28FN4O4S+ MolecularWeight: 475.556223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H27FN4O4S/c24-19-6-4-7-20(16-19)25-22(29)17-26-11-13-27(14-12-26)23(30)18-5-3-8-21(15-18)33(31,32)28-9-1-2-10-28/h3-8,15-16H,1-2,9-14,17H2,(H,25,29)/p+1