4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazino]methyl]-3-nitro-benzamide Formula: C18H18F2N4O5S MolecularWeight: 440.421126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H18F2N4O5S/c19-14-2-1-3-15(20)17(14)30(28,29)23-8-6-22(7-9-23)11-13-5-4-12(18(21)25)10-16(13)24(26)27/h1-5,10H,6-9,11H2,(H2,21,25)