N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)propanamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)propanamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-(4-sulfamoylphenyl)propanamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(4-sulfamoylphenyl)propanamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)propanamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-(4-sulfamoylphenyl)propionamide Formula: C18H19FN2O3S2 MolecularWeight: 394.483463

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C=CC=C2F

InChI

InChI=1S/C18H19FN2O3S2/c19-15-3-1-2-14-16(10-11-25-18(14)15)21-17(22)9-6-12-4-7-13(8-5-12)26(20,23)24/h1-5,7-8,16H,6,9-11H2,(H,21,22)(H2,20,23,24)/t16-/m0/s1