3-bromanyl-N-[3-[[2-(3-cyanopropoxy)phenyl]methylsulfanyl]-4-(4-methoxypyridin-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[3-[[2-(3-cyanopropoxy)phenyl]methylsulfanyl]-4-(4-methoxypyridin-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: 3-bromo-N-[3-[[2-(3-cyanopropoxy)phenyl]methylsulfanyl]-4-(4-methoxy-2-pyridyl)-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: 3-bromo-N-[3-[[2-(3-cyanopropoxy)phenyl]methylthio]-4-(4-methoxy-2-pyridinyl)-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: 3-bromo-N-[3-[[2-(3-cyanopropoxy)phenyl]methylsulfanyl]-4-(4-methoxypyridin-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: 3-bromo-N-[3-[[2-(3-cyanopropoxy)benzyl]thio]-4-(4-methoxy-2-pyridyl)-1H-pyrazol-5-yl]benzenesulfonamide Formula: C26H24BrN5O4S2 MolecularWeight: 614.53386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)C2=C(NN=C2SCC3=CC=CC=C3OCCCC#N)NS(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC(=NC=C1)C2=C(NN=C2SCC3=CC=CC=C3OCCCC#N)NS(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H24BrN5O4S2/c1-35-20-11-13-29-22(16-20)24-25(32-38(33,34)21-9-6-8-19(27)15-21)30-31-26(24)37-17-18-7-2-3-10-23(18)36-14-5-4-12-28/h2-3,6-11,13,15-16H,4-5,14,17H2,1H3,(H2,30,31,32)