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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-cyclopentylsulfonylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-cyclopentylsulfonylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-cyclopentylsulfonylphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-cyclopentylsulfonylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-cyclopentylsulfonylphenyl)propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C22H28N4O3S/c1-16-21(17(2)26(25-16)14-6-13-23)11-12-22(27)24-18-7-5-10-20(15-18)30(28,29)19-8-3-4-9-19/h5,7,10,15,19H,3-4,6,8-9,11-12,14H2,1-2H3,(H,24,27)