N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-methyl-4-(methylsulfamoyl)-2-pyrrolecarboxamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide Formula: C16H18FN3O3S2 MolecularWeight: 383.460823

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C(=C1)C(=O)NC2CCSC3=C2C=CC=C3F)C

Isomeric SMILES

CNS(=O)(=O)C1=CN(C(=C1)C(=O)N[C@H]2CCSC3=C2C=CC=C3F)C

InChI

InChI=1S/C16H18FN3O3S2/c1-18-25(22,23)10-8-14(20(2)9-10)16(21)19-13-6-7-24-15-11(13)4-3-5-12(15)17/h3-5,8-9,13,18H,6-7H2,1-2H3,(H,19,21)/t13-/m0/s1