N-tert-butyl-4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C17H26FN3O3S MolecularWeight: 371.470043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)F

InChI

InChI=1S/C17H26FN3O3S/c1-17(2,3)19-16(22)21-9-5-8-20(10-11-21)15-7-6-13(12-14(15)18)25(4,23)24/h6-7,12H,5,8-11H2,1-4H3,(H,19,22)