2-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C20H18ClFN2O7S MolecularWeight: 484.882523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN2O7S/c21-15-10-13(2-4-16(15)22)32(30,31)24-7-5-11(6-8-24)18(25)23-17-9-12(19(26)27)1-3-14(17)20(28)29/h1-4,9-11H,5-8H2,(H,23,25)(H,26,27)(H,28,29)