N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-(methylsulfamoylmethyl)benzyl]-2-(2-thienyl)cinchoninamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H21N3O3S2/c1-24-31(28,29)15-17-10-8-16(9-11-17)14-25-23(27)19-13-21(22-7-4-12-30-22)26-20-6-3-2-5-18(19)20/h2-13,24H,14-15H2,1H3,(H,25,27)