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

Systemtic Name: 5-[3-(cyclohexylamino)-3-oxidanylidene-propyl]furan-2-sulfonic acid Openeye Name: 5-[3-(cyclohexylamino)-3-oxo-propyl]furan-2-sulfonic acid CAS Name: 5-[3-(cyclohexylamino)-3-oxopropyl]-2-furansulfonic acid IUPAC Name: 5-[3-(cyclohexylamino)-3-oxopropyl]furan-2-sulfonic acid Traditional Name: 5-[3-(cyclohexylamino)-3-keto-propyl]furan-2-sulfonic acid Formula: C13H19NO5S MolecularWeight: 301.35866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCC2=CC=C(O2)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CCC2=CC=C(O2)S(=O)(=O)O

InChI

InChI=1S/C13H19NO5S/c15-12(14-10-4-2-1-3-5-10)8-6-11-7-9-13(19-11)20(16,17)18/h7,9-10H,1-6,8H2,(H,14,15)(H,16,17,18)