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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(1-piperidylsulfonyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(3-piperidinosulfonylphenyl)cinchoninamide Formula: C29H29N3O5S MolecularWeight: 531.62266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)OC

InChI

InChI=1S/C29H29N3O5S/c1-36-27-14-13-20(17-28(27)37-2)26-19-24(23-11-4-5-12-25(23)31-26)29(33)30-21-9-8-10-22(18-21)38(34,35)32-15-6-3-7-16-32/h4-5,8-14,17-19H,3,6-7,15-16H2,1-2H3,(H,30,33)