2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol Traditional Name: 1-(4-mesylphenyl)-2-(piperonylamino)ethanol Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H19NO5S/c1-24(20,21)14-5-3-13(4-6-14)15(19)10-18-9-12-2-7-16-17(8-12)23-11-22-16/h2-8,15,18-19H,9-11H2,1H3