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

Systemtic Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]butan-1-amine Openeye Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]butan-1-amine CAS Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]-1-butanamine IUPAC Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]butan-1-amine Traditional Name: butyl-[(7-mesyl-4H-1,3-benzodioxin-2-yl)methyl]amine Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-3-4-7-15-9-14-18-10-11-5-6-12(20(2,16)17)8-13(11)19-14/h5-6,8,14-15H,3-4,7,9-10H2,1-2H3