N-ethyl-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27FN2O4S/c1-3-24(16-17-5-4-6-19(23)15-17)22(26)18-11-13-25(14-12-18)30(27,28)21-9-7-20(29-2)8-10-21/h4-10,15,18H,3,11-14,16H2,1-2H3