phenyl 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanesulfonic acid phenyl ester Formula: C19H20F3N3O5S MolecularWeight: 459.43941

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N3O5S/c20-19(21,22)15-6-7-17(18(14-15)25(26)27)24-10-8-23(9-11-24)12-13-31(28,29)30-16-4-2-1-3-5-16/h1-7,14H,8-13H2