N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4R)-8-fluorothiochroman-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4R)-8-fluorothiochroman-4-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H21FN2O3S2 MolecularWeight: 420.520743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H]3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C20H21FN2O3S2/c21-17-5-3-4-16-18(10-13-27-19(16)17)22-20(24)14-6-8-15(9-7-14)28(25,26)23-11-1-2-12-23/h3-9,18H,1-2,10-13H2,(H,22,24)/t18-/m1/s1