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

Systemtic Name: 3-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)sulfamoyl]benzoic acid Openeye Name: 3-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)sulfamoyl]benzoic acid CAS Name: 3-[[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)sulfamoyl]benzoic acid Traditional Name: 3-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)sulfamoyl]benzoic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H16N2O5S2/c19-15(14-9-10-4-1-2-7-13(10)24-14)17-18-25(22,23)12-6-3-5-11(8-12)16(20)21/h3,5-6,8-9,18H,1-2,4,7H2,(H,17,19)(H,20,21)