2-[[4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoyl]amino]terephthalic acid Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O8S/c1-11-9-24(10-12(2)32-11)33(30,31)18-8-13(4-6-16(18)22)19(25)23-17-7-14(20(26)27)3-5-15(17)21(28)29/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)