2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C24H27FN3O4S+ MolecularWeight: 472.552283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C24H26FN3O4S/c25-21-8-4-10-23(16-21)33(30,31)28-13-11-26(12-14-28)19-24(29)27(18-22-9-5-15-32-22)17-20-6-2-1-3-7-20/h1-10,15-16H,11-14,17-19H2/p+1