N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C20H22F2N2O3S MolecularWeight: 408.462086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O3S/c1-14-2-3-15(12-19(14)22)13-23-20(25)16-8-10-24(11-9-16)28(26,27)18-6-4-17(21)5-7-18/h2-7,12,16H,8-11,13H2,1H3,(H,23,25)