4-(azepan-1-ylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(4-bromo-2-fluorophenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(4-bromo-2-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C20H25BrFN3O3S MolecularWeight: 486.398203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H25BrFN3O3S/c1-13-18(20(26)25-10-6-4-5-7-11-25)19(14(2)24(13)3)29(27,28)23-17-9-8-15(21)12-16(17)22/h8-9,12,23H,4-7,10-11H2,1-3H3