1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-[[2-(1-piperidylsulfonyl)phenyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-[[2-(1-piperidinylsulfonyl)phenyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(2-piperidinosulfonylbenzyl)-3-[4-(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=CC=C2CNC(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c22-21(23,24)18-10-8-16(9-11-18)14-25-20(28)26-15-17-6-2-3-7-19(17)31(29,30)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-15H2,(H2,25,26,28)