5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide; 4-methylbenzenesulfonic acid Openeye Name: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide; 4-methylbenzenesulfonic acid CAS Name: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide; 4-methylbenzenesulfonic acid Traditional Name: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide; tosylic acid Formula: C27H36N2O8S2 MolecularWeight: 580.71334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H28N2O5S.C7H8O3S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;1-6-2-4-7(5-3-6)11(8,9)10/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);2-5H,1H3,(H,8,9,10)