3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-4-chloranyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-4-chloranyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-4-chloro-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-4-chloro-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-4-chloro-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-4-chloro-N,N-dimethyl-benzenesulfonamide Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4S/c1-25(2)30(28,29)16-3-4-18(22)17(8-16)20(27)24-23-19(26)12-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,23,26)(H,24,27)