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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-7-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-7-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-7-fluoro-2-methyl-cinchoninamide Formula: C24H26FN3O4S MolecularWeight: 471.544343

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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)N4CCCCCC4)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H26FN3O4S/c1-16-13-20(19-9-7-17(25)14-21(19)26-16)24(29)27-22-15-18(8-10-23(22)32-2)33(30,31)28-11-5-3-4-6-12-28/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)