[4-[[2-(2-azanylethylamino)ethylamino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-(2-azanylethylamino)ethylamino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-(2-aminoethylamino)ethylamino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-(2-aminoethylamino)ethylamino]methyl]phenyl] ester IUPAC Name: [4-[[2-(2-aminoethylamino)ethylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-(2-aminoethylamino)ethylamino]methyl]phenyl] ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CNCCNCCN

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CNCCNCCN

InChI

InChI=1S/C12H21N3O3S/c1-19(16,17)18-12-4-2-11(3-5-12)10-15-9-8-14-7-6-13/h2-5,14-15H,6-10,13H2,1H3