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

Systemtic Name: N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-6-(4-methylpiperidino)sulfonyl-2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S2/c1-3-4-17-36-18-5-12-30-28(33)25-20-27(22-8-13-29-14-9-22)31-26-7-6-23(19-24(25)26)37(34,35)32-15-10-21(2)11-16-32/h6-9,13-14,19-21H,3-5,10-12,15-18H2,1-2H3,(H,30,33)