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

Systemtic Name: 2-pyridin-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Openeye Name: 2-(2-pyridyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide CAS Name: 2-(2-pyridinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Traditional Name: 2-(2-pyridyl)-N-(4-pyrrolidinosulfonylphenyl)cinchoninamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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=CC=N5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C25H22N4O3S/c30-25(27-18-10-12-19(13-11-18)33(31,32)29-15-5-6-16-29)21-17-24(23-9-3-4-14-26-23)28-22-8-2-1-7-20(21)22/h1-4,7-14,17H,5-6,15-16H2,(H,27,30)