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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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