N-[4-bromanyl-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-methyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NNC(=C2Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NNC(=C2Br)C3=CC=C(C=C3)C(C)(C)C

InChI

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