4-[3-(1-adamantyl)-2-oxidanylidene-imidazol-1-yl]butyl methanesulfonate

Systemtic Name: 4-[3-(1-adamantyl)-2-oxidanylidene-imidazol-1-yl]butyl methanesulfonate Openeye Name: 4-[3-(1-adamantyl)-2-oxo-imidazol-1-yl]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[3-(1-adamantyl)-2-oxo-1-imidazolyl]butyl ester IUPAC Name: 4-[3-(1-adamantyl)-2-oxoimidazol-1-yl]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[3-(1-adamantyl)-2-keto-4-imidazolin-1-yl]butyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCN1C=CN(C1=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)OCCCCN1C=CN(C1=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H28N2O4S/c1-25(22,23)24-7-3-2-4-19-5-6-20(17(19)21)18-11-14-8-15(12-18)10-16(9-14)13-18/h5-6,14-16H,2-4,7-13H2,1H3