(4S)-7-fluoranyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-7-fluoranyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-7-fluoro-N-[(4-morpholinosulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-7-fluoro-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-7-fluoro-2-keto-N-(4-morpholinosulfonylbenzyl)-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H22FN3O5S/c22-15-3-6-17-18(12-20(26)24-19(17)11-15)21(27)23-13-14-1-4-16(5-2-14)31(28,29)25-7-9-30-10-8-25/h1-6,11,18H,7-10,12-13H2,(H,23,27)(H,24,26)/t18-/m0/s1