3-[[4-[[5-(phenoxymethyl)furan-2-yl]carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[[5-(phenoxymethyl)furan-2-yl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[5-(phenoxymethyl)-2-furoyl]amino]phenyl]sulfonylamino]propionic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H20N2O7S/c24-20(25)12-13-22-31(27,28)18-9-6-15(7-10-18)23-21(26)19-11-8-17(30-19)14-29-16-4-2-1-3-5-16/h1-11,22H,12-14H2,(H,23,26)(H,24,25)