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

Systemtic Name: 3-[[4-(2-phenoxybutanoylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(2-phenoxybutanoylamino)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(1-oxo-2-phenoxybutyl)amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(2-phenoxybutanoylamino)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-(2-phenoxybutanoylamino)phenyl]sulfonylamino]propionic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O6S/c1-2-17(27-15-6-4-3-5-7-15)19(24)21-14-8-10-16(11-9-14)28(25,26)20-13-12-18(22)23/h3-11,17,20H,2,12-13H2,1H3,(H,21,24)(H,22,23)