3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-(4-bromophenyl)benzenesulfonamide

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-(4-bromophenyl)benzenesulfonamide Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(4-bromophenyl)benzenesulfonamide CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-N-(4-bromophenyl)benzenesulfonamide IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(4-bromophenyl)benzenesulfonamide Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(4-bromophenyl)benzenesulfonamide Formula: C25H28BrN3O4S MolecularWeight: 546.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H28BrN3O4S/c26-20-4-6-21(7-5-20)29-34(32,33)22-3-1-2-19(11-22)24(31)28-27-23(30)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,29H,8-10,12-15H2,(H,27,30)(H,28,31)