4-[[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]sulfamoyl]benzoic acid CAS Name: 4-[[3-[oxo-(2-oxolanylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(tetrahydrofurfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]sulfamoyl]benzoic acid Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H24N2O6S2/c24-19(22-12-14-4-3-11-29-14)18-16-5-1-2-6-17(16)30-20(18)23-31(27,28)15-9-7-13(8-10-15)21(25)26/h7-10,14,23H,1-6,11-12H2,(H,22,24)(H,25,26)