4-butan-2-yl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-butan-2-ylbenzenesulfonamide Traditional Name: N-(1-benzyl-4-chloro-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=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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