2-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-N-[[4-piperidin-1-yl-6-(trifluoromethyl)pyridazin-3-yl]methyl]propanamide

Systemtic Name: 2-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-N-[[4-piperidin-1-yl-6-(trifluoromethyl)pyridazin-3-yl]methyl]propanamide Openeye Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(1-piperidyl)-6-(trifluoromethyl)pyridazin-3-yl]methyl]propanamide CAS Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(1-piperidinyl)-6-(trifluoromethyl)-3-pyridazinyl]methyl]propanamide IUPAC Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-piperidin-1-yl-6-(trifluoromethyl)pyridazin-3-yl]methyl]propanamide Traditional Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-piperidino-6-(trifluoromethyl)pyridazin-3-yl]methyl]propionamide Formula: C21H25F4N5O3S MolecularWeight: 503.513513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)F)C(=O)NCC2=NN=C(C=C2N3CCCCC3)C(F)(F)F

Isomeric SMILES

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)F)C(=O)NCC2=NN=C(C=C2N3CCCCC3)C(F)(F)F

InChI

InChI=1S/C21H25F4N5O3S/c1-13(14-6-7-16(15(22)10-14)29-34(2,32)33)20(31)26-12-17-18(30-8-4-3-5-9-30)11-19(28-27-17)21(23,24)25/h6-7,10-11,13,29H,3-5,8-9,12H2,1-2H3,(H,26,31)