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

Systemtic Name: 4-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-(2,6-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=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC=C3F)F

InChI

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