1,3-benzoxazol-2-ylmethyl (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoate Openeye Name: 1,3-benzoxazol-2-ylmethyl (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-propenoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]acrylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H20N2O6S/c1-22(2)29(24,25)18-12-14(8-10-17(18)26-3)9-11-20(23)27-13-19-21-15-6-4-5-7-16(15)28-19/h4-12H,13H2,1-3H3/b11-9+