2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]terephthalic acid Formula: C15H13ClN2O7S2 MolecularWeight: 432.85592

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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(S2)Cl

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H13ClN2O7S2/c1-18(27(24,25)13-5-4-11(16)26-13)7-12(19)17-10-6-8(14(20)21)2-3-9(10)15(22)23/h2-6H,7H2,1H3,(H,17,19)(H,20,21)(H,22,23)