2-[[4-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 2-[[4-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 2-[[4-[(2-hydroxy-4-methyl-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[[(2-hydroxy-4-methylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 2-[[4-[(2-hydroxy-4-methyl-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-10-3-8-14(15(20)9-10)16(21)18-12-4-6-13(7-5-12)26(24,25)19-11(2)17(22)23/h3-9,11,19-20H,1-2H3,(H,18,21)(H,22,23)