N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H22FN3O3S2/c1-22-12-14(28(25,26)23-7-2-3-8-23)11-17(22)19(24)21-16-6-9-27-18-5-4-13(20)10-15(16)18/h4-5,10-12,16H,2-3,6-9H2,1H3,(H,21,24)