3-chloranyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-adamantane-1-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-adamantane-1-carbohydrazide Openeye Name: 3-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide CAS Name: 3-chloro-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-adamantanecarbohydrazide IUPAC Name: 3-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide Traditional Name: 3-chloro-N'-(4-pyrrolidinosulfonylbenzoyl)adamantane-1-carbohydrazide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H28ClN3O4S/c23-22-12-15-9-16(13-22)11-21(10-15,14-22)20(28)25-24-19(27)17-3-5-18(6-4-17)31(29,30)26-7-1-2-8-26/h3-6,15-16H,1-2,7-14H2,(H,24,27)(H,25,28)