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

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-morpholinosulfonyl-benzamide Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=CC=C2F

InChI

InChI=1S/C20H21FN2O4S2/c21-17-6-2-5-16-18(7-12-28-19(16)17)22-20(24)14-3-1-4-15(13-14)29(25,26)23-8-10-27-11-9-23/h1-6,13,18H,7-12H2,(H,22,24)/t18-/m0/s1