N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-dimethyl-benzenesulfonamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

InChI

InChI=1S/C18H18BrN3O2S/c1-13-6-7-18(14(2)8-13)25(23,24)21-17-5-3-4-15(9-17)11-22-12-16(19)10-20-22/h3-10,12,21H,11H2,1-2H3