5-bromanyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(4-isopropylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(4-propan-2-yl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(4-isopropylpiperazino)sulfonyl-2-thenoic acid Formula: C12H17BrN2O4S2 MolecularWeight: 397.30838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

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