N-[2-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]methanesulfonamide

Systemtic Name: N-[2-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]methanesulfonamide Openeye Name: N-[2-[2-sulfanyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]methanesulfonamide CAS Name: N-[2-[2-mercapto-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]methanesulfonamide IUPAC Name: N-[2-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]methanesulfonamide Traditional Name: N-[2-[2-mercapto-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]methanesulfonamide Formula: C17H29NO3S2 MolecularWeight: 359.54706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCNS(=O)(=O)C)S

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCNS(=O)(=O)C)S

InChI

InChI=1S/C17H29NO3S2/c1-16(2,3)12-17(4,5)13-7-8-14(15(22)11-13)21-10-9-18-23(6,19)20/h7-8,11,18,22H,9-10,12H2,1-6H3