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

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C25H33FN2O5S MolecularWeight: 492.603323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C25H33FN2O5S/c1-4-32-23-11-8-21(16-24(23)33-5-2)18(3)27-25(29)20-12-14-28(15-13-20)34(30,31)17-19-6-9-22(26)10-7-19/h6-11,16,18,20H,4-5,12-15,17H2,1-3H3,(H,27,29)