[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]acetate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]acetic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate Traditional Name: 2-[(2-fluorobenzoyl)amino]acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O6S/c1-31(28,29)24-10-4-5-14-11-15(8-9-18(14)24)19(25)13-30-20(26)12-23-21(27)16-6-2-3-7-17(16)22/h2-3,6-9,11H,4-5,10,12-13H2,1H3,(H,23,27)