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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-2-methoxy-5-morpholinosulfonyl-benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-methoxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-2-methoxy-5-morpholinosulfonyl-benzamide Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H23FN2O5S2/c1-28-19-4-3-15(31(26,27)24-7-9-29-10-8-24)13-17(19)21(25)23-18-6-11-30-20-5-2-14(22)12-16(18)20/h2-5,12-13,18H,6-11H2,1H3,(H,23,25)