N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C20H22BrN3O2S/c1-13-11-14(2)16(4)20(15(13)3)27(25,26)23-19-9-10-24(22-19)12-17-5-7-18(21)8-6-17/h5-11H,12H2,1-4H3,(H,22,23)