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HV9

Summary
Name:4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
Formula:C18 H20 F3 N5 O3 S
Formal charge:0
Formula weight:443.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-methylphenyl)sulfonyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3
InChIInChI1.03InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)
InChIKeyInChI1.03YEGSVKBKIFWARL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F
SMILESCACTVS3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F

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PDB entries from 2024-07-31

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