N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethyl-benzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethyl-benzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethyl-benzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid CAS Name: N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: N-ethyl-N-(2-hydroxyethyl)-2,4,6-trimethyl-benzenesulfonamide; 2,4,6-trimethylbesylic acid Formula: C22H33NO6S2 MolecularWeight: 471.63052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)S(=O)(=O)C1=C(C=C(C=C1C)C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

Isomeric SMILES

CCN(CCO)S(=O)(=O)C1=C(C=C(C=C1C)C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

InChI

InChI=1S/C13H21NO3S.C9H12O3S/c1-5-14(6-7-15)18(16,17)13-11(3)8-10(2)9-12(13)4;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h8-9,15H,5-7H2,1-4H3;4-5H,1-3H3,(H,10,11,12)