N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(3-pyridylsulfonylamino)propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(3-pyridinylsulfonylamino)propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(3-pyridylsulfonylamino)propionamide Formula: C17H18FN3O3S2 MolecularWeight: 395.471523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCNS(=O)(=O)C3=CN=CC=C3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCNS(=O)(=O)C3=CN=CC=C3)C=C(C=C2)F

InChI

InChI=1S/C17H18FN3O3S2/c18-12-3-4-16-14(10-12)15(6-9-25-16)21-17(22)5-8-20-26(23,24)13-2-1-7-19-11-13/h1-4,7,10-11,15,20H,5-6,8-9H2,(H,21,22)