[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-14-6-4-7-15(2)20(14)22-19(24)13-28-21(25)17-9-10-18-16(12-17)8-5-11-23(18)29(3,26)27/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,22,24)