[2-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O5S/c1-28(19-10-3-2-4-11-19)34(31,32)23-14-8-7-13-21(23)27-24(29)17-33-25(30)22-16-15-18-9-5-6-12-20(18)26-22/h5-9,12-16,19H,2-4,10-11,17H2,1H3,(H,27,29)