N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21BrClN3O2S/c1-20(2,3)15-8-10-16(11-9-15)28(26,27)24-19-17(21)13-25(23-19)12-14-6-4-5-7-18(14)22/h4-11,13H,12H2,1-3H3,(H,23,24)