2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 2-[[4-(diethylsulfamoyl)benzoyl]amino]ethyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 2-[[[4-(diethylsulfamoyl)phenyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-(diethylsulfamoyl)benzoyl]amino]ethyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid 2-[[4-(diethylsulfamoyl)benzoyl]amino]ethyl ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C27H27N3O5S2/c1-3-30(4-2)37(33,34)20-13-11-19(12-14-20)26(31)28-15-16-35-27(32)22-18-24(25-10-7-17-36-25)29-23-9-6-5-8-21(22)23/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,31)