1-[4-[[2,3-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonyl-propan-1-one

Systemtic Name: 1-[4-[[2,3-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonyl-propan-1-one Openeye Name: 1-[4-[(2,3-difluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(2-naphthylsulfonyl)propan-1-one CAS Name: 1-[4-[(2,3-difluorophenyl)methyl]-1-piperazin-4-iumyl]-3-(2-naphthalenylsulfonyl)-1-propanone IUPAC Name: 1-[4-[(2,3-difluorophenyl)methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonylpropan-1-one Traditional Name: 1-[4-(2,3-difluorobenzyl)piperazin-4-ium-1-yl]-3-(2-naphthylsulfonyl)propan-1-one Formula: C24H25F2N2O3S+ MolecularWeight: 459.528706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)C(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)C(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24F2N2O3S/c25-22-7-3-6-20(24(22)26)17-27-11-13-28(14-12-27)23(29)10-15-32(30,31)21-9-8-18-4-1-2-5-19(18)16-21/h1-9,16H,10-15,17H2/p+1