N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-1-tosyl-isonipecotamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O3S/c1-14-2-5-18(6-3-14)28(26,27)24-10-8-15(9-11-24)20(25)23-13-16-12-17(21)4-7-19(16)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)