3,4-bis(fluoranyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide

Systemtic Name: 3,4-bis(fluoranyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Openeye Name: 3,4-difluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide CAS Name: 3,4-difluoro-N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]benzamide IUPAC Name: 3,4-difluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Traditional Name: 3,4-difluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Formula: C21H26F2N3O3S+ MolecularWeight: 438.511246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H25F2N3O3S/c22-19-7-6-18(16-20(19)23)21(27)24-9-15-30(28,29)26-13-11-25(12-14-26)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,27)/p+1