N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C21H25BrN4O3S/c1-26-12-18(22)19(24-26)20(27)23-16-2-4-17(5-3-16)30(28,29)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15,25H,6-11H2,1H3,(H,23,27)