2-methoxy-5-[[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[4-(2-oxolanylmethylsulfamoyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-(tetrahydrofurfurylsulfamoyl)benzoyl]amino]methyl]benzoic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)C(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-29-19-9-4-14(11-18(19)21(25)26)12-22-20(24)15-5-7-17(8-6-15)31(27,28)23-13-16-3-2-10-30-16/h4-9,11,16,23H,2-3,10,12-13H2,1H3,(H,22,24)(H,25,26)