2-bromanyl-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]benzamide

Systemtic Name: 2-bromanyl-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]benzamide Openeye Name: 2-bromo-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluorothiochroman-4-yl]benzamide CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]benzamide IUPAC Name: 2-bromo-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)-N-[(4S)-6-fluorothiochroman-4-yl]benzamide Formula: C19H18BrFN2O3S2 MolecularWeight: 485.390223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)Br)C=C(C=C2)F

InChI

InChI=1S/C19H18BrFN2O3S2/c20-16-5-4-13(28(25,26)23-12-2-3-12)10-14(16)19(24)22-17-7-8-27-18-6-1-11(21)9-15(17)18/h1,4-6,9-10,12,17,23H,2-3,7-8H2,(H,22,24)/t17-/m0/s1