N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-2,4,6-trimethyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C)Br

InChI

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