5-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]isophthalic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-11-5-6-14(19(2,3)4)10-16(11)27(25,26)20-15-8-12(17(21)22)7-13(9-15)18(23)24/h5-10,20H,1-4H3,(H,21,22)(H,23,24)