3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-propylsulfonyl-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-propylsulfonyl-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide Formula: C18H21BrF3N3O3S MolecularWeight: 496.34185

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC(F)(F)F)C(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCS(=O)(=O)N(CC(F)(F)F)C(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C18H21BrF3N3O3S/c1-4-8-29(27,28)25(11-18(20,21)22)17(26)15-7-5-6-14(9-15)10-24-13(3)16(19)12(2)23-24/h5-7,9H,4,8,10-11H2,1-3H3