12-(4-ethylsulfonylpiperazin-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]dodecanamide

Systemtic Name: 12-(4-ethylsulfonylpiperazin-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]dodecanamide Openeye Name: 12-(4-ethylsulfonylpiperazin-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]dodecanamide CAS Name: 12-(4-ethylsulfonyl-1-piperazinyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]dodecanamide IUPAC Name: 12-(4-ethylsulfonylpiperazin-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]dodecanamide Traditional Name: 12-(4-esylpiperazino)-N-[4-nitro-3-(trifluoromethyl)phenyl]lauramide Formula: C25H39F3N4O5S MolecularWeight: 564.66117

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CCCCCCCCCCCC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CCCCCCCCCCCC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C25H39F3N4O5S/c1-2-38(36,37)31-18-16-30(17-19-31)15-11-9-7-5-3-4-6-8-10-12-24(33)29-21-13-14-23(32(34)35)22(20-21)25(26,27)28/h13-14,20H,2-12,15-19H2,1H3,(H,29,33)