4-butyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]benzenesulfonamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-3-4-5-17-8-12-20(13-9-17)28(26,27)24-21-14-16(2)25(23-21)15-18-6-10-19(22)11-7-18/h6-14H,3-5,15H2,1-2H3,(H,23,24)