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

Systemtic Name: N-(2-hydroxyethyl)-N,2,4,6-tetramethyl-benzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: N-(2-hydroxyethyl)-N,2,4,6-tetramethyl-benzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid CAS Name: N-(2-hydroxyethyl)-N,2,4,6-tetramethylbenzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: N-(2-hydroxyethyl)-N,2,4,6-tetramethylbenzenesulfonamide; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: N-(2-hydroxyethyl)-N,2,4,6-tetramethyl-benzenesulfonamide; 2,4,6-trimethylbesylic acid Formula: C21H31NO6S2 MolecularWeight: 457.60394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CCO)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CCO)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

InChI

InChI=1S/C12H19NO3S.C9H12O3S/c1-9-7-10(2)12(11(3)8-9)17(15,16)13(4)5-6-14;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h7-8,14H,5-6H2,1-4H3;4-5H,1-3H3,(H,10,11,12)