4-[(3-fluorophenyl)amino]-8-methyl-6-morpholin-4-ylsulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-[(3-fluorophenyl)amino]-8-methyl-6-morpholin-4-ylsulfonyl-quinoline-3-carboxamide Openeye Name: 4-(3-fluoroanilino)-8-methyl-6-morpholinosulfonyl-quinoline-3-carboxamide CAS Name: 4-(3-fluoroanilino)-8-methyl-6-(4-morpholinylsulfonyl)-3-quinolinecarboxamide IUPAC Name: 4-(3-fluoroanilino)-8-methyl-6-morpholin-4-ylsulfonylquinoline-3-carboxamide Traditional Name: 4-(3-fluoroanilino)-8-methyl-6-morpholinosulfonyl-quinoline-3-carboxamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S(=O)(=O)N3CCOCC3)C(=C(C=N2)C(=O)N)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C2C(=CC(=C1)S(=O)(=O)N3CCOCC3)C(=C(C=N2)C(=O)N)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H21FN4O4S/c1-13-9-16(31(28,29)26-5-7-30-8-6-26)11-17-19(13)24-12-18(21(23)27)20(17)25-15-4-2-3-14(22)10-15/h2-4,9-12H,5-8H2,1H3,(H2,23,27)(H,24,25)