2-[[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-hydroxy-2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-hydroxy-2-[[4-(p-toluoylamino)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(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-11-2-4-12(5-3-11)16(21)18-13-6-8-14(9-7-13)26(24,25)19-15(10-20)17(22)23/h2-9,15,19-20H,10H2,1H3,(H,18,21)(H,22,23)