[1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C26H31N3O5S/c1-4-8-22-20(5-2)24(21-9-6-7-10-23(21)29-22)26(31)34-17(3)25(30)28-16-15-18-11-13-19(14-12-18)35(27,32)33/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,28,30)(H2,27,32,33)