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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(4-methylpiperidino)sulfonyl-N-piperonyl-2-(3-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=CN=CC=C6

Isomeric SMILES

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

InChI

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