(4,7-dimethyl-1,4,7-triazonan-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (4,7-dimethyl-1,4,7-triazonan-1-yl) 4-methylbenzenesulfonate Openeye Name: (4,7-dimethyl-1,4,7-triazonan-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,7-dimethyl-1,4,7-triazonan-1-yl) ester IUPAC Name: (4,7-dimethyl-1,4,7-triazonan-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,7-dimethyl-1,4,7-triazonan-1-yl) ester Formula: C15H25N3O3S MolecularWeight: 327.4423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2CCN(CCN(CC2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2CCN(CCN(CC2)C)C

InChI

InChI=1S/C15H25N3O3S/c1-14-4-6-15(7-5-14)22(19,20)21-18-12-10-16(2)8-9-17(3)11-13-18/h4-7H,8-13H2,1-3H3