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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-fluoro-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O4S2/c21-17-6-5-14(29(25,26)23-8-10-27-11-9-23)13-16(17)20(24)22-18-7-12-28-19-4-2-1-3-15(18)19/h1-6,13,18H,7-12H2,(H,22,24)/t18-/m0/s1