1-[(3-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-fluorobenzyl)isonipecotamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrFN2O3S/c21-18-3-1-2-16(12-18)14-28(26,27)24-10-8-17(9-11-24)20(25)23-13-15-4-6-19(22)7-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)