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

Systemtic Name: 3-azanyl-N-[[4-(3-fluorophenyl)-1-sulfamoyl-azepan-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-fluorophenyl)-1-sulfamoyl-azepan-4-yl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-fluorophenyl)-1-sulfamoyl-4-azepanyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-fluorophenyl)-1-sulfamoyl-azepan-4-yl]methyl]pyrazinamide Formula: C18H23FN6O3S MolecularWeight: 422.477023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)S(=O)(=O)N)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

Isomeric SMILES

C1CC(CCN(C1)S(=O)(=O)N)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H23FN6O3S/c19-14-4-1-3-13(11-14)18(5-2-9-25(10-6-18)29(21,27)28)12-24-17(26)15-16(20)23-8-7-22-15/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H2,20,23)(H,24,26)(H2,21,27,28)