2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]terephthalic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O8S/c1-12-2-4-14(31(28,29)22-6-8-30-9-7-22)11-16(12)18(23)21-17-10-13(19(24)25)3-5-15(17)20(26)27/h2-5,10-11H,6-9H2,1H3,(H,21,23)(H,24,25)(H,26,27)