N-(3-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(3-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-m-phenetyl-isonipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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