(3S)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-1-keto-isochroman-3-carboxamide Formula: C20H19FN2O6S MolecularWeight: 434.438063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)[C@@H]3CC4=CC=CC=C4C(=O)O3)F

InChI

InChI=1S/C20H19FN2O6S/c21-16-6-5-14(12-18(16)30(26,27)23-7-9-28-10-8-23)22-19(24)17-11-13-3-1-2-4-15(13)20(25)29-17/h1-6,12,17H,7-11H2,(H,22,24)/t17-/m0/s1