[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C24H20ClN3O5S2 MolecularWeight: 530.0157

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H20ClN3O5S2/c1-28(2)35(31,32)15-9-10-18(25)20(12-15)27-23(29)14-33-24(30)17-13-21(22-8-5-11-34-22)26-19-7-4-3-6-16(17)19/h3-13H,14H2,1-2H3,(H,27,29)