2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-methyl-3-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)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCOCC3

InChI

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