[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H27N3O6S/c1-2-33-22-12-11-19(35(31,32)28-14-4-3-5-15-28)16-21(22)27-23(29)17-34-25(30)20-10-6-8-18-9-7-13-26-24(18)20/h6-13,16H,2-5,14-15,17H2,1H3,(H,27,29)