2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]terephthalic acid Formula: C22H22N2O9S MolecularWeight: 490.48308

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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=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O9S/c25-20(23-17-11-14(21(26)27)1-3-16(17)22(28)29)13-5-7-24(8-6-13)34(30,31)15-2-4-18-19(12-15)33-10-9-32-18/h1-4,11-13H,5-10H2,(H,23,25)(H,26,27)(H,28,29)