N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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