N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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