N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C19H22FN3O4S2 MolecularWeight: 439.524083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N[C@H]2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H22FN3O4S2/c1-22-12-14(29(25,26)23-5-7-27-8-6-23)11-17(22)19(24)21-16-4-9-28-18-3-2-13(20)10-15(16)18/h2-3,10-12,16H,4-9H2,1H3,(H,21,24)/t16-/m0/s1