N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C30H31N3O6S MolecularWeight: 561.64864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C30H31N3O6S/c1-37-27-17-20(18-28(38-2)29(27)39-3)26-19-24(23-9-5-6-10-25(23)32-26)30(34)31-21-11-13-22(14-12-21)40(35,36)33-15-7-4-8-16-33/h5-6,9-14,17-19H,4,7-8,15-16H2,1-3H3,(H,31,34)