N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propionamide Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O5S/c1-14(19(28)24-17-7-2-3-8-18(17)27(29)30)25-9-11-26(12-10-25)33(31,32)16-6-4-5-15(13-16)20(21,22)23/h2-8,13-14H,9-12H2,1H3,(H,24,28)