3-oxidanylidene-3-[2-(phenylmethyl)-4,5-dihydroimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-3-[2-(phenylmethyl)-4,5-dihydroimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-oxo-propane-1-sulfonic acid CAS Name: 3-oxo-3-[2-(phenylmethyl)-4,5-dihydroimidazol-1-yl]-1-propanesulfonic acid IUPAC Name: 3-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-oxopropane-1-sulfonic acid Traditional Name: 3-(2-benzyl-2-imidazolin-1-yl)-3-keto-propane-1-sulfonic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)CC2=CC=CC=C2)C(=O)CCS(=O)(=O)O

Isomeric SMILES

C1CN(C(=N1)CC2=CC=CC=C2)C(=O)CCS(=O)(=O)O

InChI

InChI=1S/C13H16N2O4S/c16-13(6-9-20(17,18)19)15-8-7-14-12(15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18,19)