[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-propylsulfonyl-3-piperidyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(1-propylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(1-propylsulfonyl-3-piperidyl)methanone Formula: C20H27F3N4O5S MolecularWeight: 492.51239

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H27F3N4O5S/c1-2-12-33(31,32)26-7-3-4-15(14-26)19(28)25-10-8-24(9-11-25)17-6-5-16(20(21,22)23)13-18(17)27(29)30/h5-6,13,15H,2-4,7-12,14H2,1H3