2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]terephthalic acid Formula: C17H15FN2O7S MolecularWeight: 410.373603

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN2O7S/c1-20(28(26,27)12-5-3-11(18)4-6-12)9-15(21)19-14-8-10(16(22)23)2-7-13(14)17(24)25/h2-8H,9H2,1H3,(H,19,21)(H,22,23)(H,24,25)