N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-morpholinosulfonyl-2-(1-piperidyl)phenyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(5-morpholinosulfonyl-2-piperidino-phenyl)-2-(2-pyridyl)cinchoninamide Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C30H31N5O4S/c36-30(24-21-27(26-10-4-5-13-31-26)32-25-9-3-2-8-23(24)25)33-28-20-22(40(37,38)35-16-18-39-19-17-35)11-12-29(28)34-14-6-1-7-15-34/h2-5,8-13,20-21H,1,6-7,14-19H2,(H,33,36)