1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-morpholin-4-ylcarbonyl-1-propylsulfonyl-piperidin-4-yl)methyl]urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-morpholin-4-ylcarbonyl-1-propylsulfonyl-piperidin-4-yl)methyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-(morpholine-4-carbonyl)-1-propylsulfonyl-4-piperidyl]methyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-[4-morpholinyl(oxo)methyl]-1-propylsulfonyl-4-piperidinyl]methyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-(morpholine-4-carbonyl)-1-propylsulfonyl-4-piperidyl]methyl]urea Formula: C23H30F6N4O5S MolecularWeight: 588.563519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)N3CCOCC3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)N3CCOCC3

InChI

InChI=1S/C23H30F6N4O5S/c1-2-11-39(36,37)33-5-3-21(4-6-33,19(34)32-7-9-38-10-8-32)15-30-20(35)31-18-13-16(22(24,25)26)12-17(14-18)23(27,28)29/h12-14H,2-11,15H2,1H3,(H2,30,31,35)