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

Systemtic Name: 3-[[4-[[2-(phenoxymethyl)phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(phenoxymethyl)benzoyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[oxo-[2-(phenoxymethyl)phenyl]methyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(phenoxymethyl)benzoyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(phenoxymethyl)benzoyl]amino]phenyl]sulfonylamino]propionic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C23H22N2O6S/c26-22(27)14-15-24-32(29,30)20-12-10-18(11-13-20)25-23(28)21-9-5-4-6-17(21)16-31-19-7-2-1-3-8-19/h1-13,24H,14-16H2,(H,25,28)(H,26,27)