N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C)C)C

InChI

InChI=1S/C22H26BrN3O2S/c1-13-10-14(2)16(4)22(15(13)3)29(27,28)25-20-9-7-8-19(11-20)12-26-18(6)21(23)17(5)24-26/h7-11,25H,12H2,1-6H3