4-bromanyl-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)Br

InChI

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