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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(methylsulfonylamino)phenyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(methanesulfonamido)phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[4-(methanesulfonamido)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(methanesulfonamido)phenyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(methanesulfonamido)phenyl]propionamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C18H23N5O3S/c1-13-17(14(2)23(21-13)12-4-11-19)9-10-18(24)20-15-5-7-16(8-6-15)22-27(3,25)26/h5-8,22H,4,9-10,12H2,1-3H3,(H,20,24)