(3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-ethoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S/c1-2-29-19-7-9-20(10-8-19)30-15-13-24-22(26)17-4-3-14-25(16-17)31(27,28)21-11-5-18(23)6-12-21/h5-12,17H,2-4,13-16H2,1H3,(H,24,26)/t17-/m0/s1