N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-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=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

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