2-bromanyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[methyl(3-thiolanyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid Formula: C12H14BrNO4S2 MolecularWeight: 380.27786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN(C1CCSC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO4S2/c1-14(8-4-5-19-7-8)20(17,18)9-2-3-11(13)10(6-9)12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)