[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O6S/c1-3-12-22-17-6-4-5-7-18(17)23(21(22)26)13-20(25)29-14-19(24)15-8-10-16(11-9-15)30(2,27)28/h4-11H,3,12-14H2,1-2H3