1-[(4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(4-nitro-1-pyrazolyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C15H16F3N5O4S MolecularWeight: 419.37885

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O4S/c16-15(17,18)12-2-1-3-14(8-12)28(26,27)22-6-4-20(5-7-22)11-21-10-13(9-19-21)23(24)25/h1-3,8-10H,4-7,11H2