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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]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-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H23FN2O7S2 MolecularWeight: 498.544923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O7S2/c1-23(33(29,30)18-8-6-17(22)7-9-18)13-21(26)31-14-20(25)16-5-10-19-15(12-16)4-3-11-24(19)32(2,27)28/h5-10,12H,3-4,11,13-14H2,1-2H3