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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

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