2,5-bis(bromanyl)-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 2,5-bis(bromanyl)-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide Formula: C18H17Br2N3O2S MolecularWeight: 499.21948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=NN2)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=NN2)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C)C

InChI

InChI=1S/C18H17Br2N3O2S/c1-10-6-12(3)14(7-11(10)2)16-9-18(22-21-16)23-26(24,25)17-8-13(19)4-5-15(17)20/h4-9H,1-3H3,(H2,21,22,23)