[3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] methanesulfonate

Systemtic Name: [3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] methanesulfonate Openeye Name: [3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] ester IUPAC Name: [3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(butylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl] ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1COC2=C(O1)C=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCNCC1COC2=C(O1)C=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C14H21NO5S/c1-3-4-7-15-9-12-10-18-13-6-5-11(8-14(13)19-12)20-21(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3