4-bromanyl-1-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-(4-morpholinosulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-(4-morpholinosulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C16H16BrF3N4O4S MolecularWeight: 497.28685

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)C(F)(F)F

InChI

InChI=1S/C16H16BrF3N4O4S/c1-23-14(16(18,19)20)12(17)13(22-23)15(25)21-10-2-4-11(5-3-10)29(26,27)24-6-8-28-9-7-24/h2-5H,6-9H2,1H3,(H,21,25)