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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,4,5,6-pentamethyl-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,4,5,6-pentamethyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,3,4,5,6-pentamethylbenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-2,3,4,5,6-pentamethyl-benzenesulfonamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-13-14(2)16(4)21(17(5)15(13)3)28(26,27)24-20-10-11-25(23-20)12-18-6-8-19(22)9-7-18/h6-11H,12H2,1-5H3,(H,23,24)