N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidino)propyl]-6-(4-methylpiperidino)sulfonyl-2-(2-pyridyl)cinchoninamide Formula: C31H41N5O3S MolecularWeight: 563.75394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCCN4CC(CC(C4)C)C)C5=CC=CC=N5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCCN4CC(CC(C4)C)C)C5=CC=CC=N5

InChI

InChI=1S/C31H41N5O3S/c1-22-10-15-36(16-11-22)40(38,39)25-8-9-28-26(18-25)27(19-30(34-28)29-7-4-5-12-32-29)31(37)33-13-6-14-35-20-23(2)17-24(3)21-35/h4-5,7-9,12,18-19,22-24H,6,10-11,13-17,20-21H2,1-3H3,(H,33,37)