5-[[(4-methoxy-3-methyl-phenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(4-methoxy-3-methyl-phenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(4-methoxy-3-methyl-phenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(4-methoxy-3-methyl-phenyl)sulfonylamino]methyl]isophthalic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H17NO7S/c1-10-5-14(3-4-15(10)25-2)26(23,24)18-9-11-6-12(16(19)20)8-13(7-11)17(21)22/h3-8,18H,9H2,1-2H3,(H,19,20)(H,21,22)