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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-piperidinosulfonyl-benzamide Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3S2/c22-16-6-9-20-18(14-16)19(10-13-28-20)23-21(25)15-4-7-17(8-5-15)29(26,27)24-11-2-1-3-12-24/h4-9,14,19H,1-3,10-13H2,(H,23,25)