N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

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