ethanedioic acid; 1-[2-(2-methoxy-5-methyl-4-methylsulfonyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-(2-methoxy-5-methyl-4-methylsulfonyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfonyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfonylphenoxy)ethylamino]-3-(2-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfonylphenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[2-(4-mesyl-2-methoxy-5-methyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Formula: C23H31NO10S MolecularWeight: 513.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C(=C2)C)S(=O)(=O)C)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C(=C2)C)S(=O)(=O)C)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO6S.C2H2O4/c1-15-7-5-6-8-18(15)28-14-17(23)13-22-9-10-27-20-11-16(2)21(29(4,24)25)12-19(20)26-3;3-1(4)2(5)6/h5-8,11-12,17,22-23H,9-10,13-14H2,1-4H3;(H,3,4)(H,5,6)