N-(4-fluorophenyl)-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[3-(2-naphthylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[3-(2-naphthylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H28FN4O4S+ MolecularWeight: 499.577623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27FN4O4S/c26-21-6-8-22(9-7-21)28-24(31)18-29-13-15-30(16-14-29)25(32)11-12-27-35(33,34)23-10-5-19-3-1-2-4-20(19)17-23/h1-10,17,27H,11-16,18H2,(H,28,31)/p+1