2-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-[2-(phenylsulfonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 2-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-[2-(phenylsulfonylamino)ethyl]phenyl]propanoic acid Openeye Name: 2-[5-(2-amino-2-oxo-ethoxy)-2-[2-(benzenesulfonamido)ethyl]phenyl]propanoic acid CAS Name: 2-[5-(2-amino-2-oxoethoxy)-2-[2-(benzenesulfonamido)ethyl]phenyl]propanoic acid IUPAC Name: 2-[5-(2-amino-2-oxoethoxy)-2-[2-(benzenesulfonamido)ethyl]phenyl]propanoic acid Traditional Name: 2-[5-(2-amino-2-keto-ethoxy)-2-[2-(benzenesulfonamido)ethyl]phenyl]propionic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OCC(=O)N)CCNS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)OCC(=O)N)CCNS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-13(19(23)24)17-11-15(27-12-18(20)22)8-7-14(17)9-10-21-28(25,26)16-5-3-2-4-6-16/h2-8,11,13,21H,9-10,12H2,1H3,(H2,20,22)(H,23,24)