N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-N-(p-tolylmethyl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(4-methylbenzyl)-6-(4-methylpiperidino)sulfonyl-2-(2-pyridyl)cinchoninamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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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=CC=C(C=C4)C)C5=CC=CC=N5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=C(C=C4)C)C5=CC=CC=N5

InChI

InChI=1S/C29H30N4O3S/c1-20-6-8-22(9-7-20)19-31-29(34)25-18-28(27-5-3-4-14-30-27)32-26-11-10-23(17-24(25)26)37(35,36)33-15-12-21(2)13-16-33/h3-11,14,17-18,21H,12-13,15-16,19H2,1-2H3,(H,31,34)