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

Systemtic Name: 3-azanyl-N-[[4-(3-fluorophenyl)-1-methylsulfonyl-azepan-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-fluorophenyl)-1-methylsulfonyl-azepan-4-yl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-fluorophenyl)-1-methylsulfonyl-4-azepanyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)-1-methylsulfonylazepan-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-fluorophenyl)-1-mesyl-azepan-4-yl]methyl]pyrazinamide Formula: C19H24FN5O3S MolecularWeight: 421.488963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN5O3S/c1-29(27,28)25-10-3-6-19(7-11-25,14-4-2-5-15(20)12-14)13-24-18(26)16-17(21)23-9-8-22-16/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H2,21,23)(H,24,26)