2-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]terephthalic acid Formula: C19H18N2O9S MolecularWeight: 450.41922

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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=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H18N2O9S/c1-21(31(27,28)12-3-5-15-16(9-12)30-7-6-29-15)10-17(22)20-14-8-11(18(23)24)2-4-13(14)19(25)26/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)(H,23,24)(H,25,26)