3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-fluoro-benzoic acid CAS Name: 3-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]-4-fluorobenzoic acid IUPAC Name: 3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-fluorobenzoic acid Traditional Name: 3-(4-carbethoxypiperazino)sulfonyl-4-fluoro-benzoic acid Formula: C14H17FN2O6S MolecularWeight: 360.357983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2O6S/c1-2-23-14(20)16-5-7-17(8-6-16)24(21,22)12-9-10(13(18)19)3-4-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,18,19)