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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylhexyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylhexyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylhexyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylhexyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylhexyl)isonipecotamide Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H36N2O5S/c1-3-5-7-18(4-2)17-24-23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-6-14-29-21/h8-9,16,18-19H,3-7,10-15,17H2,1-2H3,(H,24,26)