N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylsulfonyl-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylsulfonylbenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-mesyl-benzenesulfonamide Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-3-19(12-14-13-24-17-6-4-5-7-18(17)25-14)27(22,23)16-10-8-15(9-11-16)26(2,20)21/h4-11,14H,3,12-13H2,1-2H3