N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-1-(4-fluorophenyl)sulfonyl-pipecolinamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O5S/c1-28-17-8-11-20(29-2)15(13-17)14-23-21(25)19-5-3-4-12-24(19)30(26,27)18-9-6-16(22)7-10-18/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,23,25)