4-fluoranyl-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-(6-fluorothiochroman-4-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-fluoro-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-(6-fluorothiochroman-4-yl)-3-piperidinosulfonyl-benzamide Formula: C21H22F2N2O3S2 MolecularWeight: 452.537786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)F

InChI

InChI=1S/C21H22F2N2O3S2/c22-15-5-7-19-16(13-15)18(8-11-29-19)24-21(26)14-4-6-17(23)20(12-14)30(27,28)25-9-2-1-3-10-25/h4-7,12-13,18H,1-3,8-11H2,(H,24,26)