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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)Br

InChI

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