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

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C20H20FN3O7S MolecularWeight: 465.452103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)OCC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O7S/c1-22(32(29,30)17-7-4-15(21)5-8-17)12-20(26)31-13-19(25)23-10-2-3-14-11-16(24(27)28)6-9-18(14)23/h4-9,11H,2-3,10,12-13H2,1H3