N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN2O5S/c21-16-3-1-14(2-4-16)12-29(25,26)23-9-7-15(8-10-23)20(24)22-17-5-6-18-19(11-17)28-13-27-18/h1-6,11,15H,7-10,12-13H2,(H,22,24)