4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzenesulfonamide Traditional Name: N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-4-15(2)18-7-11-20(12-8-18)28(26,27)24-21-13-16(3)25(23-21)14-17-5-9-19(22)10-6-17/h5-13,15H,4,14H2,1-3H3,(H,23,24)