N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-7-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-7-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-7-fluoro-2-methyl-cinchoninamide Formula: C24H27FN4O3S MolecularWeight: 470.559583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C

InChI

InChI=1S/C24H27FN4O3S/c1-16-13-20(19-9-7-17(25)14-21(19)26-16)24(30)27-22-15-18(8-10-23(22)28(2)3)33(31,32)29-11-5-4-6-12-29/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,30)