3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(2-pyrimidylsulfamoyl)phenyl]acrylamide Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H15N5O5S/c22-12-15(10-14-2-7-18-19(11-14)31-13-30-18)20(27)25-16-3-5-17(6-4-16)32(28,29)26-21-23-8-1-9-24-21/h1-11H,13H2,(H,25,27)(H,23,24,26)