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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-isobutyl-benzenesulfonamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-isobutyl-benzenesulfonamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O2S/c1-15(2)12-16-8-10-18(11-9-16)27(25,26)23-20-19(21)14-24(22-20)13-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)