N-(2-methyl-6-nitro-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]acetamide Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

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