N-[4-(4-tert-butylpyridin-2-yl)-3-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylsulfanyl]-1H-pyrazol-5-yl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[4-(4-tert-butylpyridin-2-yl)-3-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylsulfanyl]-1H-pyrazol-5-yl]-3-cyano-benzenesulfonamide Openeye Name: N-[4-(4-tert-butyl-2-pyridyl)-3-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylsulfanyl]-1H-pyrazol-5-yl]-3-cyano-benzenesulfonamide CAS Name: N-[4-(4-tert-butyl-2-pyridinyl)-3-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylthio]-1H-pyrazol-5-yl]-3-cyanobenzenesulfonamide IUPAC Name: N-[4-(4-tert-butylpyridin-2-yl)-3-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylsulfanyl]-1H-pyrazol-5-yl]-3-cyanobenzenesulfonamide Traditional Name: N-[4-(4-tert-butyl-2-pyridyl)-3-[[3-[2-(4-fluorophenyl)ethoxy]benzyl]thio]-1H-pyrazol-5-yl]-3-cyano-benzenesulfonamide Formula: C34H32FN5O3S2 MolecularWeight: 641.777983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)C2=C(NN=C2SCC3=CC(=CC=C3)OCCC4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)C2=C(NN=C2SCC3=CC(=CC=C3)OCCC4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C34H32FN5O3S2/c1-34(2,3)26-14-16-37-30(20-26)31-32(40-45(41,42)29-9-5-6-24(19-29)21-36)38-39-33(31)44-22-25-7-4-8-28(18-25)43-17-15-23-10-12-27(35)13-11-23/h4-14,16,18-20H,15,17,22H2,1-3H3,(H2,38,39,40)