2-fluoranyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-(4-tert-butoxycarbonylpiperazin-1-yl)sulfonyl-2-fluoro-benzoic acid CAS Name: 2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 5-(4-tert-butoxycarbonylpiperazino)sulfonyl-2-fluoro-benzoic acid Formula: C16H21FN2O6S MolecularWeight: 388.411143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O6S/c1-16(2,3)25-15(22)18-6-8-19(9-7-18)26(23,24)11-4-5-13(17)12(10-11)14(20)21/h4-5,10H,6-9H2,1-3H3,(H,20,21)