N-(1-adamantyl)-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-(1-adamantyl)-4-(methylthio)-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-(1-adamantyl)-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N5CCOCC5

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N5CCOCC5

InChI

InChI=1S/C22H30N2O4S2/c1-29-20-3-2-18(11-19(20)21(25)24-4-6-28-7-5-24)30(26,27)23-22-12-15-8-16(13-22)10-17(9-15)14-22/h2-3,11,15-17,23H,4-10,12-14H2,1H3