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

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(4-chloro-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(4-chloro-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(4-chloro-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(4-chloro-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C17H15ClF3N3O4S MolecularWeight: 449.83191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClF3N3O4S/c18-13-4-5-15(16(11-13)24(25)26)22-6-8-23(9-7-22)29(27,28)14-3-1-2-12(10-14)17(19,20)21/h1-5,10-11H,6-9H2