4-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27N3O4S/c1-2-7-23-30(28,29)19-5-3-18(4-6-19)21(27)25-24-20(26)14-22-11-15-8-16(12-22)10-17(9-15)13-22/h1,3-6,15-17,23H,7-14H2,(H,24,26)(H,25,27)