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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)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-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C20H26N2O6S/c1-29(26,27)22-11-5-6-15-12-16(8-9-17(15)22)18(23)14-28-20(25)13-21-10-4-2-3-7-19(21)24/h8-9,12H,2-7,10-11,13-14H2,1H3