[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-methyl-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-methyl-6-(trifluoromethyl)-3-pyridyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-methyl-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-methyl-6-(trifluoromethyl)-3-pyridyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H17F3N4O5S MolecularWeight: 458.41159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O5S/c1-12-15(5-6-16(22-12)18(19,20)21)17(26)23-7-9-24(10-8-23)31(29,30)14-4-2-3-13(11-14)25(27)28/h2-6,11H,7-10H2,1H3