N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]benzenesulfonamide

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]benzenesulfonamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]benzenesulfonamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]benzenesulfonamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-12-17(18)13(2)21(19-12)15-10-8-14(9-11-15)20-24(22,23)16-6-4-3-5-7-16/h3-11,20H,1-2H3