N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-2-methyl-5-morpholinosulfonyl-benzamide Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H23FN2O4S2/c1-14-2-4-16(30(26,27)24-7-9-28-10-8-24)13-17(14)21(25)23-19-6-11-29-20-5-3-15(22)12-18(19)20/h2-5,12-13,19H,6-11H2,1H3,(H,23,25)