3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]acrylamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5S2/c1-3-24(4-2)31(26,27)15-7-8-16-19(12-15)30-21(22-16)23-20(25)10-6-14-5-9-17-18(11-14)29-13-28-17/h5-12H,3-4,13H2,1-2H3,(H,22,23,25)