2-[ethyl(phenylsulfonyl)amino]propanoic acid; 4-(5-oxidanylidenepyrrolidin-3-yl)oxybenzenecarboximidamide

Systemtic Name: 2-[ethyl(phenylsulfonyl)amino]propanoic acid; 4-(5-oxidanylidenepyrrolidin-3-yl)oxybenzenecarboximidamide Openeye Name: 2-[benzenesulfonyl(ethyl)amino]propanoic acid; 4-(5-oxopyrrolidin-3-yl)oxybenzamidine CAS Name: 2-[benzenesulfonyl(ethyl)amino]propanoic acid; 4-[(5-oxo-3-pyrrolidinyl)oxy]benzenecarboximidamide IUPAC Name: 2-[benzenesulfonyl(ethyl)amino]propanoic acid; 4-(5-oxopyrrolidin-3-yl)oxybenzenecarboximidamide Traditional Name: 2-[besyl(ethyl)amino]propionic acid; 4-(5-ketopyrrolidin-3-yl)oxybenzamidine Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C(=O)O)S(=O)(=O)C1=CC=CC=C1.C1C(CNC1=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCN(C(C)C(=O)O)S(=O)(=O)C1=CC=CC=C1.C1C(CNC1=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C11H13N3O2.C11H15NO4S/c12-11(13)7-1-3-8(4-2-7)16-9-5-10(15)14-6-9;1-3-12(9(2)11(13)14)17(15,16)10-7-5-4-6-8-10/h1-4,9H,5-6H2,(H3,12,13)(H,14,15);4-9H,3H2,1-2H3,(H,13,14)