3-butyl-N-(2-methyl-4-phenyl-butyl)-N-methylsulfonyl-2-oxidanyl-benzenesulfonamide

Systemtic Name: 3-butyl-N-(2-methyl-4-phenyl-butyl)-N-methylsulfonyl-2-oxidanyl-benzenesulfonamide Openeye Name: 3-butyl-2-hydroxy-N-(2-methyl-4-phenyl-butyl)-N-methylsulfonyl-benzenesulfonamide CAS Name: 3-butyl-2-hydroxy-N-(2-methyl-4-phenylbutyl)-N-methylsulfonylbenzenesulfonamide IUPAC Name: 3-butyl-2-hydroxy-N-(2-methyl-4-phenylbutyl)-N-methylsulfonylbenzenesulfonamide Traditional Name: 3-butyl-2-hydroxy-N-mesyl-N-(2-methyl-4-phenyl-butyl)benzenesulfonamide Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)S(=O)(=O)N(CC(C)CCC2=CC=CC=C2)S(=O)(=O)C)O

Isomeric SMILES

CCCCC1=C(C(=CC=C1)S(=O)(=O)N(CC(C)CCC2=CC=CC=C2)S(=O)(=O)C)O

InChI

InChI=1S/C22H31NO5S2/c1-4-5-12-20-13-9-14-21(22(20)24)30(27,28)23(29(3,25)26)17-18(2)15-16-19-10-7-6-8-11-19/h6-11,13-14,18,24H,4-5,12,15-17H2,1-3H3