3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-(4-tert-butoxycarbonylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-(4-tert-butoxycarbonylpiperazino)sulfonyl-2-thenoic acid Formula: C14H20N2O6S2 MolecularWeight: 376.4484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6S2/c1-14(2,3)22-13(19)15-5-7-16(8-6-15)24(20,21)10-4-9-23-11(10)12(17)18/h4,9H,5-8H2,1-3H3,(H,17,18)