N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-6-(4-methylpiperidino)sulfonyl-2-(3-pyridyl)cinchoninamide Formula: C28H36N4O3S2 MolecularWeight: 540.74044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CN=CC=C4

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CN=CC=C4

InChI

InChI=1S/C28H36N4O3S2/c1-3-4-16-36-17-6-13-30-28(33)25-19-27(22-7-5-12-29-20-22)31-26-9-8-23(18-24(25)26)37(34,35)32-14-10-21(2)11-15-32/h5,7-9,12,18-21H,3-4,6,10-11,13-17H2,1-2H3,(H,30,33)