N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2-piperidino-5-piperidinosulfonyl-phenyl)-2-(2-thienyl)cinchoninamide Formula: C30H32N4O3S2 MolecularWeight: 560.73008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C30H32N4O3S2/c35-30(24-21-27(29-12-9-19-38-29)31-25-11-4-3-10-23(24)25)32-26-20-22(39(36,37)34-17-7-2-8-18-34)13-14-28(26)33-15-5-1-6-16-33/h3-4,9-14,19-21H,1-2,5-8,15-18H2,(H,32,35)