N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-morpholinosulfonyl-benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-morpholinosulfonyl-benzamide Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=C(C=C2)F

InChI

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