5-[3-oxidanylidene-3-(propan-2-ylamino)propyl]furan-2-sulfonic acid

Systemtic Name: 5-[3-oxidanylidene-3-(propan-2-ylamino)propyl]furan-2-sulfonic acid Openeye Name: 5-[3-(isopropylamino)-3-oxo-propyl]furan-2-sulfonic acid CAS Name: 5-[3-oxo-3-(propan-2-ylamino)propyl]-2-furansulfonic acid IUPAC Name: 5-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-sulfonic acid Traditional Name: 5-[3-(isopropylamino)-3-keto-propyl]furan-2-sulfonic acid Formula: C10H15NO5S MolecularWeight: 261.2948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCC1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CC(C)NC(=O)CCC1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C10H15NO5S/c1-7(2)11-9(12)5-3-8-4-6-10(16-8)17(13,14)15/h4,6-7H,3,5H2,1-2H3,(H,11,12)(H,13,14,15)