4-methyl-N-phenyl-benzenesulfonamide; 2-oxidanylbutyl methanesulfonate

Systemtic Name: 4-methyl-N-phenyl-benzenesulfonamide; 2-oxidanylbutyl methanesulfonate Openeye Name: 2-hydroxybutyl methanesulfonate; 4-methyl-N-phenyl-benzenesulfonamide CAS Name: methanesulfonic acid 2-hydroxybutyl ester; 4-methyl-N-phenylbenzenesulfonamide IUPAC Name: 2-hydroxybutyl methanesulfonate; 4-methyl-N-phenylbenzenesulfonamide Traditional Name: methanesulfonic acid 2-hydroxybutyl ester; 4-methyl-N-phenyl-benzenesulfonamide Formula: C18H25NO6S2 MolecularWeight: 415.5242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C)O.CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC(COS(=O)(=O)C)O.CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S.C5H12O4S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-3-5(6)4-9-10(2,7)8/h2-10,14H,1H3;5-6H,3-4H2,1-2H3