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

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methyl-benzenesulfonamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C18H18BrN3O2S/c1-12-4-10-17(11-5-12)25(23,24)21-15-6-8-16(9-7-15)22-14(3)18(19)13(2)20-22/h4-11,21H,1-3H3