N-(1,3-benzodioxol-5-yl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(5-fluoro-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(5-fluoro-2-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(5-fluoro-2-methyl-phenyl)sulfonyl-isonipecotamide Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21FN2O5S/c1-13-2-3-15(21)10-19(13)29(25,26)23-8-6-14(7-9-23)20(24)22-16-4-5-17-18(11-16)28-12-27-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,24)