4-[4-[[2,3-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[2,3-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(2,3-difluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2,3-difluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2,3-difluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2,3-difluorobenzyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H21F2N4O3S+ MolecularWeight: 399.435446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=CC=C3)F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C17H20F2N4O3S/c1-21-11-13(9-15(21)17(20)24)27(25,26)23-7-5-22(6-8-23)10-12-3-2-4-14(18)16(12)19/h2-4,9,11H,5-8,10H2,1H3,(H2,20,24)/p+1