1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-13-11-17(12-14-24)21(25)23-15-16-3-5-18(22)6-4-16/h3-10,17H,2,11-15H2,1H3,(H,23,25)