1,3-benzothiazol-2-ylmethyl 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2O4S2/c1-3-23(4-2)29(25,26)17-12-9-16(10-13-17)11-14-21(24)27-15-20-22-18-7-5-6-8-19(18)28-20/h5-10,12-13H,3-4,11,14-15H2,1-2H3