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

Systemtic Name: 4-butyl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-butyl-benzenesulfonamide CAS Name: 4-butyl-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-butylbenzenesulfonamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-butyl-benzenesulfonamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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