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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C)Br

InChI

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