(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O5S/c24-18-7-9-19(10-8-18)32(29,30)26-14-11-17-5-1-2-6-20(17)21(26)15-23(28)31-16-22(27)25-12-3-4-13-25/h1-2,5-10,21H,3-4,11-16H2