[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C25H23FN2O6S MolecularWeight: 498.523323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H23FN2O6S/c1-33-22-12-11-18(25(30)34-16-24(29)27-20-9-4-8-19(26)15-20)14-23(22)35(31,32)28-13-5-7-17-6-2-3-10-21(17)28/h2-4,6,8-12,14-15H,5,7,13,16H2,1H3,(H,27,29)