N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=CC=C3F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=C2C=CC=C3F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23FN2O5S2/c1-28-18-6-5-14(13-19(18)31(26,27)24-8-10-29-11-9-24)21(25)23-17-7-12-30-20-15(17)3-2-4-16(20)22/h2-6,13,17H,7-12H2,1H3,(H,23,25)/t17-/m0/s1