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

Systemtic Name: 4-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazino]-3-nitro-benzaldehyde Formula: C17H15F2N3O5S MolecularWeight: 411.379906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2N3O5S/c18-13-2-4-17(14(19)10-13)28(26,27)21-7-5-20(6-8-21)15-3-1-12(11-23)9-16(15)22(24)25/h1-4,9-11H,5-8H2