1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(2,3-difluorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(2,3-difluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2,3-difluorobenzyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C17H17F2N3O4S MolecularWeight: 397.396386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N3O4S/c18-16-6-1-3-13(17(16)19)12-20-7-9-21(10-8-20)27(25,26)15-5-2-4-14(11-15)22(23)24/h1-6,11H,7-10,12H2