1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoranyl-4-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoranyl-4-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoro-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-fluoro-4-methyl-phenyl)isonipecotamide Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

InChI

InChI=1S/C22H25FN2O5S/c1-15-3-4-17(13-19(15)23)24-22(26)16-7-9-25(10-8-16)31(27,28)18-5-6-20-21(14-18)30-12-2-11-29-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,24,26)