2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]terephthalic acid CAS Name: 2-[[[3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(2,6-dimethylmorpholino)sulfonylbenzoyl]amino]terephthalic acid Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O8S/c1-12-10-23(11-13(2)31-12)32(29,30)16-5-3-4-14(8-16)19(24)22-18-9-15(20(25)26)6-7-17(18)21(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)