1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol CAS Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(3-methyl-4-methylsulfonylphenoxy)-2-propanol IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-3-(4-mesyl-3-methyl-phenoxy)propan-2-ol Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CNCCOC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CNCCOC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C

InChI

InChI=1S/C20H25NO7S/c1-14-9-16(4-6-20(14)29(2,23)24)26-12-15(22)11-21-7-8-25-17-3-5-18-19(10-17)28-13-27-18/h3-6,9-10,15,21-22H,7-8,11-13H2,1-2H3