[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C25H28ClN3O5S MolecularWeight: 518.02492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O5S/c1-5-20-16(4)24(18-10-8-9-11-21(18)27-20)25(31)34-15-23(30)28-22-14-17(12-13-19(22)26)35(32,33)29(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,28,30)