5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-oxidanyl-ethyl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-oxidanyl-ethyl]-2-methyl-benzenesulfonamide Openeye Name: 5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-hydroxy-ethyl]-2-methyl-benzenesulfonamide CAS Name: 5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide Traditional Name: 5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-1-hydroxy-ethyl]-2-methyl-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S/c1-12-2-3-13(8-18(12)27(19,22)23)15(21)10-20-6-7-24-14-4-5-16-17(9-14)26-11-25-16/h2-5,8-9,15,20-21H,6-7,10-11H2,1H3,(H2,19,22,23)