N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(2-piperidino-5-piperidinosulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C35H40N4O6S MolecularWeight: 644.7803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N6CCCCC6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N6CCCCC6

InChI

InChI=1S/C35H40N4O6S/c1-43-32-20-24(21-33(44-2)34(32)45-3)29-23-27(26-12-6-7-13-28(26)36-29)35(40)37-30-22-25(46(41,42)39-18-10-5-11-19-39)14-15-31(30)38-16-8-4-9-17-38/h6-7,12-15,20-23H,4-5,8-11,16-19H2,1-3H3,(H,37,40)