[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C25H29N3O5S/c1-5-21-17(4)24(20-13-8-9-14-22(20)27-21)25(30)33-16-23(29)26-18-11-10-12-19(15-18)34(31,32)28(6-2)7-3/h8-15H,5-7,16H2,1-4H3,(H,26,29)