4-[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid Traditional Name: 4-[[3-[bis(2-hydroxyethyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-13-2-3-15(12-17(13)29(27,28)21(8-10-22)9-11-23)18(24)20-16-6-4-14(5-7-16)19(25)26/h2-7,12,22-23H,8-11H2,1H3,(H,20,24)(H,25,26)