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

Systemtic Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-3-15(2)17-6-10-19(11-7-17)27(25,26)23-20-12-13-24(22-20)14-16-4-8-18(21)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,22,23)