[4-[2-azanyl-3-(2-azanylethylamino)propyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-azanyl-3-(2-azanylethylamino)propyl]phenyl] methanesulfonate Openeye Name: [4-[2-amino-3-(2-aminoethylamino)propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-amino-3-(2-aminoethylamino)propyl]phenyl] ester IUPAC Name: [4-[2-amino-3-(2-aminoethylamino)propyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-amino-3-(2-aminoethylamino)propyl]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)CC(CNCCN)N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNCCN)N

InChI

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