N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-fluoro-5-morpholinosulfonyl-benzamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-fluoro-5-morpholinosulfonyl-benzamide Formula: C20H20ClFN2O4S2 MolecularWeight: 470.965203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C=C(C=C2)Cl

InChI

InChI=1S/C20H20ClFN2O4S2/c21-13-1-4-19-16(11-13)18(5-10-29-19)23-20(25)15-12-14(2-3-17(15)22)30(26,27)24-6-8-28-9-7-24/h1-4,11-12,18H,5-10H2,(H,23,25)/t18-/m0/s1