N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(4S)-8-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=CC=C3F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=C2C=CC=C3F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25FN2O3S2/c1-15-8-9-16(14-20(15)30(27,28)25-11-3-2-4-12-25)22(26)24-19-10-13-29-21-17(19)6-5-7-18(21)23/h5-9,14,19H,2-4,10-13H2,1H3,(H,24,26)/t19-/m0/s1