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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O5S/c1-28-17-7-8-19(29-2)16(13-17)14-23-21(25)15-9-11-24(12-10-15)30(26,27)20-6-4-3-5-18(20)22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)