N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-homoveratryl-isonipecotamide Formula: C23H29FN2O5S MolecularWeight: 464.550163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O5S/c1-30-21-8-5-17(15-22(21)31-2)9-12-25-23(27)19-10-13-26(14-11-19)32(28,29)16-18-3-6-20(24)7-4-18/h3-8,15,19H,9-14,16H2,1-2H3,(H,25,27)