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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O5S/c1-28(25,26)22-10-2-3-16-11-17(8-9-18(16)22)19(23)13-27-20(24)15-6-4-14(12-21)5-7-15/h4-9,11H,2-3,10,13H2,1H3