N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-mesitylsulfonyl-isonipecotamide Formula: C21H24BrFN2O3S MolecularWeight: 483.394263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C21H24BrFN2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-8-6-16(7-9-25)21(26)24-19-5-4-17(22)12-18(19)23/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,26)