1,1,1-tris(bromanyl)-N-(5-oxidanylidene-3-pentadecyl-1-phenyl-4H-pyrazol-4-yl)methanesulfonamide

Systemtic Name: 1,1,1-tris(bromanyl)-N-(5-oxidanylidene-3-pentadecyl-1-phenyl-4H-pyrazol-4-yl)methanesulfonamide Openeye Name: 1,1,1-tribromo-N-(5-oxo-3-pentadecyl-1-phenyl-4H-pyrazol-4-yl)methanesulfonamide CAS Name: 1,1,1-tribromo-N-(5-oxo-3-pentadecyl-1-phenyl-4H-pyrazol-4-yl)methanesulfonamide IUPAC Name: 1,1,1-tribromo-N-(5-oxo-3-pentadecyl-1-phenyl-4H-pyrazol-4-yl)methanesulfonamide Traditional Name: 1,1,1-tribromo-N-(5-keto-3-pentadecyl-1-phenyl-2-pyrazolin-4-yl)methanesulfonamide Formula: C25H38Br3N3O3S MolecularWeight: 700.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1NS(=O)(=O)C(Br)(Br)Br)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1NS(=O)(=O)C(Br)(Br)Br)C2=CC=CC=C2

InChI

InChI=1S/C25H38Br3N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22-23(30-35(33,34)25(26,27)28)24(32)31(29-22)21-18-15-14-16-19-21/h14-16,18-19,23,30H,2-13,17,20H2,1H3