N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-propyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)C

InChI

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