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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-methyl-3-piperidinosulfonyl-benzamide Formula: C22H25FN2O3S2 MolecularWeight: 448.573903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25FN2O3S2/c1-15-5-6-16(13-21(15)30(27,28)25-10-3-2-4-11-25)22(26)24-19-9-12-29-20-8-7-17(23)14-18(19)20/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,24,26)