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

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

Isomeric SMILES

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

InChI

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