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

Systemtic Name: N-[(4-fluorophenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-(4-methylpiperidino)sulfonyl-2-(4-pyridyl)cinchoninamide Formula: C28H27FN4O3S MolecularWeight: 518.602383

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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)F)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H27FN4O3S/c1-19-10-14-33(15-11-19)37(35,36)23-6-7-26-24(16-23)25(17-27(32-26)21-8-12-30-13-9-21)28(34)31-18-20-2-4-22(29)5-3-20/h2-9,12-13,16-17,19H,10-11,14-15,18H2,1H3,(H,31,34)