N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-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=NN(C=C2)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C

InChI

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