N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(2-thienyl)cinchoninamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H21N3O3S2/c28-24(25-17-9-11-18(12-10-17)32(29,30)27-13-3-4-14-27)20-16-22(23-8-5-15-31-23)26-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,25,28)