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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCOCC4

InChI

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