(phenylmethyl) 3-ethyl-1-(2-methylsulfonyloxyethylamino)-2-oxidanylidene-3H-indol-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-ethyl-1-(2-methylsulfonyloxyethylamino)-2-oxidanylidene-3H-indol-1-ium-1-carboxylate Openeye Name: benzyl 3-ethyl-1-(2-methylsulfonyloxyethylamino)-2-oxo-indolin-1-ium-1-carboxylate CAS Name: 3-ethyl-1-(2-methylsulfonyloxyethylamino)-2-oxo-3H-indol-1-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethyl-1-(2-methylsulfonyloxyethylamino)-2-oxo-3H-indol-1-ium-1-carboxylate Traditional Name: 3-ethyl-2-keto-1-(2-methylsulfonyloxyethylamino)indolin-1-ium-1-carboxylic acid benzyl ester Formula: C21H25N2O6S+ MolecularWeight: 433.498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2[N+](C1=O)(C(=O)OCC3=CC=CC=C3)NCCOS(=O)(=O)C

Isomeric SMILES

CCC1C2=CC=CC=C2[N+](C1=O)(C(=O)OCC3=CC=CC=C3)NCCOS(=O)(=O)C

InChI

InChI=1S/C21H25N2O6S/c1-3-17-18-11-7-8-12-19(18)23(20(17)24,22-13-14-29-30(2,26)27)21(25)28-15-16-9-5-4-6-10-16/h4-12,17,22H,3,13-15H2,1-2H3/q+1