N-[4-isoquinolin-3-yl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-isoquinolin-3-yl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-[(E)-cinnamyl]sulfanyl-4-(3-isoquinolyl)-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-(3-isoquinolinyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-isoquinolin-3-yl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-[[(E)-cinnamyl]thio]-4-(3-isoquinolyl)-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C28H21F3N4O2S2 MolecularWeight: 566.61715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NNC(=C2C3=CC4=CC=CC=C4C=N3)NS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NNC(=C2C3=CC4=CC=CC=C4C=N3)NS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C28H21F3N4O2S2/c29-28(30,31)22-12-14-23(15-13-22)39(36,37)35-26-25(24-17-20-10-4-5-11-21(20)18-32-24)27(34-33-26)38-16-6-9-19-7-2-1-3-8-19/h1-15,17-18H,16H2,(H2,33,34,35)/b9-6+