2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[[1-(1-piperidyl)cyclohexyl]methyl]benzamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[[1-(1-piperidinyl)cyclohexyl]methyl]benzamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[(1-piperidinocyclohexyl)methyl]benzamide Formula: C26H30F3N3O3S MolecularWeight: 521.59491

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H30F3N3O3S/c27-26(28,29)19-11-12-23(21(17-19)32(34)35)36-22-10-4-3-9-20(22)24(33)30-18-25(13-5-1-6-14-25)31-15-7-2-8-16-31/h3-4,9-12,17H,1-2,5-8,13-16,18H2,(H,30,33)