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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[(4-nitro-1-pyrazolyl)methyl]piperazine IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Formula: C15H15ClF3N5O4S MolecularWeight: 453.82391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClF3N5O4S/c16-14-2-1-12(7-13(14)15(17,18)19)29(27,28)23-5-3-21(4-6-23)10-22-9-11(8-20-22)24(25)26/h1-2,7-9H,3-6,10H2