N'-[2-(1-adamantyl)ethanoyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide Formula: C28H33N3O4S MolecularWeight: 507.64432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33N3O4S/c32-26(17-28-14-19-11-20(15-28)13-21(12-19)16-28)29-30-27(33)23-5-7-25(8-6-23)36(34,35)31-10-9-22-3-1-2-4-24(22)18-31/h1-8,19-21H,9-18H2,(H,29,32)(H,30,33)