N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1,3-benzodioxol-5-ylsulfamoyl)benzamide Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C21H20N6O5S/c22-11-16-17(25-26-20(16)23)5-2-8-24-21(28)13-3-1-4-15(9-13)33(29,30)27-14-6-7-18-19(10-14)32-12-31-18/h1,3-4,6-7,9-10,27H,2,5,8,12H2,(H,24,28)(H3,23,25,26)