3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O4S/c1-24(2)29(27,28)18-5-3-4-17(9-18)20(26)23-22-19(25)13-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H,22,25)(H,23,26)