6-(azepan-1-ylsulfonyl)-N-cyclohexyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-cyclohexyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-2-(3-pyridyl)cinchoninamide Formula: C27H32N4O3S MolecularWeight: 492.63298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CCCCC4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CCCCC4)C5=CN=CC=C5

InChI

InChI=1S/C27H32N4O3S/c32-27(29-21-10-4-3-5-11-21)24-18-26(20-9-8-14-28-19-20)30-25-13-12-22(17-23(24)25)35(33,34)31-15-6-1-2-7-16-31/h8-9,12-14,17-19,21H,1-7,10-11,15-16H2,(H,29,32)