[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H25N3O6S/c1-32-21-12-10-18(15-22(21)34(30,31)27-13-5-2-6-14-27)25-23(28)16-33-24(29)20-11-9-17-7-3-4-8-19(17)26-20/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,28)