methyl 4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoate

Systemtic Name: methyl 4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoate Openeye Name: methyl 4-[2-(diethylsulfamoyl)-3-methyl-benzothiophen-5-yl]benzoate CAS Name: 4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoate Traditional Name: 4-[2-(diethylsulfamoyl)-3-methyl-benzothiophen-5-yl]benzoic acid methyl ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H23NO4S2/c1-5-22(6-2)28(24,25)21-14(3)18-13-17(11-12-19(18)27-21)15-7-9-16(10-8-15)20(23)26-4/h7-13H,5-6H2,1-4H3