N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(methylsulfamoyl)benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(methylsulfamoyl)benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(methylsulfamoyl)benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-(methylsulfamoyl)benzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(methylsulfamoyl)benzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(methylsulfamoyl)benzamide Formula: C21H21FN6O3S MolecularWeight: 456.493243

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN6O3S/c1-25-32(30,31)17-5-2-4-14(12-17)21(29)26-11-3-6-19-18(13-23)20(24)28(27-19)16-9-7-15(22)8-10-16/h2,4-5,7-10,12,25H,3,6,11,24H2,1H3,(H,26,29)