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

Systemtic Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]terephthalic acid Openeye Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]terephthalic acid CAS Name: 2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]terephthalic acid Traditional Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]terephthalic acid Formula: C19H19FN2O7S MolecularWeight: 438.426763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O7S/c1-22(30(28,29)14-7-5-13(20)6-8-14)10-2-3-17(23)21-16-11-12(18(24)25)4-9-15(16)19(26)27/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,24,25)(H,26,27)