4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-(2-nitro-4-triflyl-phenyl)piperazino]phenol Formula: C17H16F3N3O5S MolecularWeight: 431.38625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O5S/c18-17(19,20)29(27,28)14-5-6-15(16(11-14)23(25)26)22-9-7-21(8-10-22)12-1-3-13(24)4-2-12/h1-6,11,24H,7-10H2