4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazino]-3-nitro-benzamide Formula: C17H16F2N4O5S MolecularWeight: 426.394546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C17H16F2N4O5S/c18-12-2-3-13(19)16(10-12)29(27,28)22-7-5-21(6-8-22)14-4-1-11(17(20)24)9-15(14)23(25)26/h1-4,9-10H,5-8H2,(H2,20,24)