[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H19NO5S/c1-29(26,27)17-10-8-16(9-11-17)23-20(24)13-28-22(25)19-12-7-15-6-5-14-3-2-4-18(19)21(14)15/h2-4,7-12H,5-6,13H2,1H3,(H,23,24)