1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-[[4-(1-piperidylsulfonyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(4-piperidinosulfonylbenzyl)-3-[3-(trifluoromethyl)benzyl]urea Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c22-21(23,24)18-6-4-5-17(13-18)15-26-20(28)25-14-16-7-9-19(10-8-16)31(29,30)27-11-2-1-3-12-27/h4-10,13H,1-3,11-12,14-15H2,(H2,25,26,28)