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

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-butan-2-yl-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-butan-2-ylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-butan-2-ylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-4-16(3)18-9-11-19(12-10-18)28(26,27)24-21-20(22)14-25(23-21)13-17-7-5-15(2)6-8-17/h5-12,14,16H,4,13H2,1-3H3,(H,23,24)