2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)ethanehydrazide

Systemtic Name: 2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)ethanehydrazide Openeye Name: 2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide CAS Name: 2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide IUPAC Name: 2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide Traditional Name: 2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)CC34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)CC34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C21H28N2O5S/c24-20(13-21-10-14-6-15(11-21)8-16(7-14)12-21)22-23-29(25,26)17-2-3-18-19(9-17)28-5-1-4-27-18/h2-3,9,14-16,23H,1,4-8,10-13H2,(H,22,24)