N-(1-methylsulfonylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1-mesyl-4-piperidyl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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)NC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O6S/c1-32-22-13-16(14-23(33-2)24(22)34-3)21-15-19(18-7-5-6-8-20(18)27-21)25(29)26-17-9-11-28(12-10-17)35(4,30)31/h5-8,13-15,17H,9-12H2,1-4H3,(H,26,29)