6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[[2-(1-adamantyl)-2-oxoethyl]thio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O3S2/c1-3-23(4-2)28(25,26)18-5-6-20(22-13-18)27-14-19(24)21-10-15-7-16(11-21)9-17(8-15)12-21/h5-6,13,15-17H,3-4,7-12,14H2,1-2H3