2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylsulfonylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylsulfonylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-methylsulfonylphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-methylsulfonylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-methylsulfonylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-mesylphenyl)benzamide Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O4S2/c1-34(31,32)21-8-6-20(7-9-21)27-25(30)22-4-2-3-5-23(22)33-16-24(29)28-26-13-17-10-18(14-26)12-19(11-17)15-26/h2-9,17-19H,10-16H2,1H3,(H,27,30)(H,28,29)