N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-(4-methylpiperidino)sulfonyl-N-piperonyl-2-(2-pyridyl)cinchoninamide Formula: C29H28N4O5S MolecularWeight: 544.62142

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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)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=N6

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=N6

InChI

InChI=1S/C29H28N4O5S/c1-19-9-12-33(13-10-19)39(35,36)21-6-7-24-22(15-21)23(16-26(32-24)25-4-2-3-11-30-25)29(34)31-17-20-5-8-27-28(14-20)38-18-37-27/h2-8,11,14-16,19H,9-10,12-13,17-18H2,1H3,(H,31,34)