N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]ethanamine

Systemtic Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]ethanamine Openeye Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]ethanamine CAS Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]ethanamine IUPAC Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]ethanamine Traditional Name: ethyl-[(7-mesyl-4H-1,3-benzodioxin-2-yl)methyl]amine Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-3-13-7-12-16-8-9-4-5-10(18(2,14)15)6-11(9)17-12/h4-6,12-13H,3,7-8H2,1-2H3