2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-nitro-phenol CAS Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-4-nitrophenol IUPAC Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-nitrophenol Traditional Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]-4-nitro-phenol Formula: C18H17ClF3N3O5S MolecularWeight: 479.85789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF3N3O5S/c19-16-3-2-14(10-15(16)18(20,21)22)31(29,30)24-7-5-23(6-8-24)11-12-9-13(25(27)28)1-4-17(12)26/h1-4,9-10,26H,5-8,11H2