3-azanyl-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)-4-azepanyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-(dimethylsulfamoyl)-4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazinamide Formula: C20H27FN6O3S MolecularWeight: 450.530183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)S(=O)(=O)N1CCCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN6O3S/c1-26(2)31(29,30)27-11-4-7-20(8-12-27,15-5-3-6-16(21)13-15)14-25-19(28)17-18(22)24-10-9-23-17/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H2,22,24)(H,25,28)