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

Systemtic Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)adamantane-1-carbohydrazide Openeye Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)adamantane-1-carbohydrazide CAS Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-adamantanecarbohydrazide IUPAC Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)adamantane-1-carbohydrazide Traditional Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)adamantane-1-carbohydrazide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C20H26N2O5S/c23-19(20-10-13-6-14(11-20)8-15(7-13)12-20)21-22-28(24,25)16-2-3-17-18(9-16)27-5-1-4-26-17/h2-3,9,13-15,22H,1,4-8,10-12H2,(H,21,23)