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

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-fluoro-4-mesyl-phenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C20H24FN3O4S/c1-28-19-7-4-3-6-17(19)22-20(25)24-11-5-10-23(12-13-24)18-9-8-15(14-16(18)21)29(2,26)27/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,25)