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

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

Systemtic Name:4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoic acid
Openeye Name:4-[2-(diethylsulfamoyl)-3-methyl-benzothiophen-5-yl]benzoic acid
CAS Name:4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoic acid
IUPAC Name:4-[2-(diethylsulfamoyl)-3-methyl-1-benzothiophen-5-yl]benzoic acid
Traditional Name:4-[2-(diethylsulfamoyl)-3-methyl-benzothiophen-5-yl]benzoic acid
Formula: C20H21NO4S2
MolecularWeight: 403.51504
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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)O)C


Isomeric SMILES

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


InChI

InChI=1S/C20H21NO4S2/c1-4-21(5-2)27(24,25)20-13(3)17-12-16(10-11-18(17)26-20)14-6-8-15(9-7-14)19(22)23/h6-12H,4-5H2,1-3H3,(H,22,23)


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