(4-methylsulfonylpiperazin-1-yl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanone Openeye Name: (4-methylsulfonylpiperazin-1-yl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidyl]methanone CAS Name: (4-methylsulfonyl-1-piperazinyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]methanone IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanone Traditional Name: (4-mesylpiperazino)-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidyl]methanone Formula: C18H23F3N4O5S MolecularWeight: 464.45923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H23F3N4O5S/c1-31(29,30)24-10-8-23(9-11-24)17(26)13-4-6-22(7-5-13)15-3-2-14(18(19,20)21)12-16(15)25(27)28/h2-3,12-13H,4-11H2,1H3