4-chloranyl-N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(8-fluorothiochroman-4-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(8-fluorothiochroman-4-yl)-3-piperidinosulfonyl-benzamide Formula: C21H22ClFN2O3S2 MolecularWeight: 468.992383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=C3C=CC=C4F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=C3C=CC=C4F)Cl

InChI

InChI=1S/C21H22ClFN2O3S2/c22-16-8-7-14(13-19(16)30(27,28)25-10-2-1-3-11-25)21(26)24-18-9-12-29-20-15(18)5-4-6-17(20)23/h4-8,13,18H,1-3,9-12H2,(H,24,26)