1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C17H15F4N3O4S MolecularWeight: 433.377313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F4N3O4S/c18-13-2-1-3-14(11-13)29(27,28)23-8-6-22(7-9-23)15-5-4-12(17(19,20)21)10-16(15)24(25)26/h1-5,10-11H,6-9H2