5-bromanyl-4-[4-(dimethylamino)piperidin-1-yl]sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[4-(dimethylamino)piperidin-1-yl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[[4-(dimethylamino)-1-piperidyl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[[4-(dimethylamino)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[4-(dimethylamino)piperidino]sulfonyl-2-thenoic acid Formula: C12H17BrN2O4S2 MolecularWeight: 397.30838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

CN(C)C1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H17BrN2O4S2/c1-14(2)8-3-5-15(6-4-8)21(18,19)10-7-9(12(16)17)20-11(10)13/h7-8H,3-6H2,1-2H3,(H,16,17)