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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-heptan-2-yl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1-methylhexyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-heptan-2-yl-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-heptan-2-ylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1-methylhexyl)isonipecotamide Formula: C22H34N2O5S MolecularWeight: 438.58076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H34N2O5S/c1-3-4-5-7-17(2)23-22(25)18-10-12-24(13-11-18)30(26,27)19-8-9-20-21(16-19)29-15-6-14-28-20/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,23,25)