(2S,3R)-6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: (2S,3R)-6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: (2S,3R)-6-morpholinosulfonyl-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: (2S,3R)-6-(4-morpholinylsulfonyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: (2S,3R)-6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: (2S,3R)-6-morpholinosulfonyl-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C15H16F3NO6S MolecularWeight: 395.35085

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(C(C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)O[C@@H]([C@@H](C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H16F3NO6S/c16-15(17,18)13-11(14(20)21)8-9-7-10(1-2-12(9)25-13)26(22,23)19-3-5-24-6-4-19/h1-2,7,11,13H,3-6,8H2,(H,20,21)/t11-,13+/m1/s1