1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4R)-8-fluorothiochroman-4-yl]isonipecotamide Formula: C23H25FN2O5S2 MolecularWeight: 492.583403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=CC=C3F)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CSC2=C([C@@H]1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C=CC=C2F

InChI

InChI=1S/C23H25FN2O5S2/c24-18-3-1-2-17-19(8-13-32-22(17)18)25-23(27)15-6-9-26(10-7-15)33(28,29)16-4-5-20-21(14-16)31-12-11-30-20/h1-5,14-15,19H,6-13H2,(H,25,27)/t19-/m1/s1