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

Systemtic Name: N-(1-adamantyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(1-adamantyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(1-adamantyl)-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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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)N5CCCC5

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N5CCCC5

InChI

InChI=1S/C22H30N2O3S2/c1-28-20-5-4-18(11-19(20)21(25)24-6-2-3-7-24)29(26,27)23-22-12-15-8-16(13-22)10-17(9-15)14-22/h4-5,11,15-17,23H,2-3,6-10,12-14H2,1H3