[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25NO7S/c1-3-23(4-2)31(26,27)18-9-5-16(6-10-18)7-12-22(25)28-14-19(24)17-8-11-20-21(13-17)30-15-29-20/h5-6,8-11,13H,3-4,7,12,14-15H2,1-2H3