N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-fluoro-3-piperidinosulfonyl-benzamide Formula: C22H25FN2O3S3 MolecularWeight: 480.638903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4)F

InChI

InChI=1S/C22H25FN2O3S3/c23-19-9-8-16(15-20(19)31(27,28)25-10-2-1-3-11-25)21(26)24-18-7-4-6-17(14-18)22-29-12-5-13-30-22/h4,6-9,14-15,22H,1-3,5,10-13H2,(H,24,26)