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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]propionamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C21H29N5O4S/c1-5-25(6-2)31(29,30)17-8-10-20(27)19(14-17)23-21(28)11-9-18-15(3)24-26(16(18)4)13-7-12-22/h8,10,14,27H,5-7,9,11,13H2,1-4H3,(H,23,28)