3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(2-thienylsulfonylamino)phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(2-thienylsulfonylamino)phenyl]propionamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O3S2/c1-15-17(16(2)26(24-15)13-6-12-22)10-11-20(27)23-18-7-3-4-8-19(18)25-31(28,29)21-9-5-14-30-21/h3-5,7-9,14,25H,6,10-11,13H2,1-2H3,(H,23,27)