N-[4-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-2-fluoranyl-phenyl]ethanamide

Systemtic Name: N-[4-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-2-fluoranyl-phenyl]ethanamide Openeye Name: N-[4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]-2-fluoro-phenyl]acetamide CAS Name: N-[4-[[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]-2-fluorophenyl]acetamide IUPAC Name: N-[4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]-2-fluorophenyl]acetamide Traditional Name: N-[4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]-2-fluoro-phenyl]acetamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)F

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)F

InChI

InChI=1S/C21H22FN3O4S/c1-13(26)23-20-7-6-18(11-19(20)22)30(28,29)24-17-5-4-14-8-9-25(12-16(14)10-17)21(27)15-2-3-15/h4-7,10-11,15,24H,2-3,8-9,12H2,1H3,(H,23,26)